smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(F)cc1CN1CCC=C(F)C1 ZINC000274470597 183274959 /nfs/dbraw/zinc/27/49/59/183274959.db2.gz JYMLDCUPJFJRBB-UHFFFAOYSA-N -1 3 225.238 2.590 20 10 BFCDHM [O-]c1ccccc1CN[C@H](C1CC1)C(F)(F)F ZINC000288494864 183303657 /nfs/dbraw/zinc/30/36/57/183303657.db2.gz RHVBKSVUECBYOV-LLVKDONJSA-N -1 3 245.244 2.823 20 10 BFCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1cn[nH]c1 ZINC000230669540 385747305 /nfs/dbraw/zinc/74/73/05/385747305.db2.gz TTZBIABPUWXTRO-RKDXNWHRSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cn[nH]c1 ZINC000230669534 385748326 /nfs/dbraw/zinc/74/83/26/385748326.db2.gz TTZBIABPUWXTRO-BDAKNGLRSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@]1(F)CCCN(Cc2cccc(F)c2[O-])C1 ZINC000295934466 386108074 /nfs/dbraw/zinc/10/80/74/386108074.db2.gz FXFLEGPOBFGTOA-ZDUSSCGKSA-N -1 3 241.281 2.855 20 10 BFCDHM CO[C@H](C)CN(C)Cc1c([O-])cccc1Cl ZINC000289969682 386377446 /nfs/dbraw/zinc/37/74/46/386377446.db2.gz ZIPTWDSQJKAEBW-SECBINFHSA-N -1 3 243.734 2.512 20 10 BFCDHM C[C@H]1C[C@H](C)N1Cc1cc(F)cc(F)c1[O-] ZINC000894600184 583490690 /nfs/dbraw/zinc/49/06/90/583490690.db2.gz FSORDYHLEFLEFJ-YUMQZZPRSA-N -1 3 227.254 2.653 20 10 BFCDHM O=C(NC1CCC=CCC1)c1cc([O-])cs1 ZINC000899804625 584240063 /nfs/dbraw/zinc/24/00/63/584240063.db2.gz SPDHRQLTLKKXPK-UHFFFAOYSA-N -1 3 237.324 2.682 20 10 BFCDHM COc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731863658 584929775 /nfs/dbraw/zinc/92/97/75/584929775.db2.gz AXDNUFGSCPRZNC-UHFFFAOYSA-N -1 3 249.291 2.715 20 10 BFCDHM Cc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731867933 584930559 /nfs/dbraw/zinc/93/05/59/584930559.db2.gz CXEZCXMRXFLZOM-UHFFFAOYSA-N -1 3 247.319 2.692 20 10 BFCDHM O=C(c1cc([O-])cs1)N1Cc2ccccc2C1 ZINC000732288237 584936030 /nfs/dbraw/zinc/93/60/30/584936030.db2.gz JXWXPLZTOCRJJZ-UHFFFAOYSA-N -1 3 245.303 2.610 20 10 BFCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1cccnc1 ZINC000733495955 584949951 /nfs/dbraw/zinc/94/99/51/584949951.db2.gz BLKDFRCYMLVECO-QMMMGPOBSA-N -1 3 249.291 2.767 20 10 BFCDHM C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000743551105 585137892 /nfs/dbraw/zinc/13/78/92/585137892.db2.gz PDXAUACXTKBEHB-BDAKNGLRSA-N -1 3 239.340 2.714 20 10 BFCDHM CCc1cnc(CN(C)Cc2ccccc2[O-])o1 ZINC000744401221 585150026 /nfs/dbraw/zinc/15/00/26/585150026.db2.gz AZLUXNRXHXZJSY-UHFFFAOYSA-N -1 3 246.310 2.575 20 10 BFCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C(C)(C)C1 ZINC000746711977 585172263 /nfs/dbraw/zinc/17/22/63/585172263.db2.gz ZLNYLELDCQZXGQ-QMMMGPOBSA-N -1 3 239.340 2.714 20 10 BFCDHM CN(Cc1ccccn1)Cc1cc(F)ccc1[O-] ZINC000757889368 585346275 /nfs/dbraw/zinc/34/62/75/585346275.db2.gz HMIVKTJZJZYMJZ-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000767153376 585514888 /nfs/dbraw/zinc/51/48/88/585514888.db2.gz RDXRARHGSGYLQS-BDAKNGLRSA-N -1 3 239.340 2.572 20 10 BFCDHM C[C@@H]1CCN(Cc2cc(F)ccc2[O-])C[C@@H]1F ZINC000779151256 585745871 /nfs/dbraw/zinc/74/58/71/585745871.db2.gz WCOKPFWKJOUDKG-SKDRFNHKSA-N -1 3 241.281 2.711 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CC=CCC1 ZINC000779160382 585746263 /nfs/dbraw/zinc/74/62/63/585746263.db2.gz VDFDYQOWWXXOBZ-UHFFFAOYSA-N -1 3 223.703 2.808 20 10 BFCDHM CC(C)=CCCNC(=O)c1cc([O-])cs1 ZINC000792492734 586001247 /nfs/dbraw/zinc/00/12/47/586001247.db2.gz KLZANJZYHSTVOA-UHFFFAOYSA-N -1 3 225.313 2.540 20 10 BFCDHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000799188874 586165375 /nfs/dbraw/zinc/16/53/75/586165375.db2.gz WTROYKDEMKSSTA-RKDXNWHRSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000816648222 586750978 /nfs/dbraw/zinc/75/09/78/586750978.db2.gz GYGXBQWSSWFIKW-IUCAKERBSA-N -1 3 225.719 2.886 20 10 BFCDHM O=C(NC12CCC(CC1)C2)c1cc([O-])cs1 ZINC000832059136 587642894 /nfs/dbraw/zinc/64/28/94/587642894.db2.gz QVEQPDXZVRFADK-UHFFFAOYSA-N -1 3 237.324 2.516 20 10 BFCDHM O=C(OCC1CC(F)(F)C1)c1cc([O-])cs1 ZINC000837513133 587879265 /nfs/dbraw/zinc/87/92/65/587879265.db2.gz GOKIZERVIMSPQE-UHFFFAOYSA-N -1 3 248.250 2.656 20 10 BFCDHM C[C@@H]1[C@H](C)CN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000842273514 588011270 /nfs/dbraw/zinc/01/12/70/588011270.db2.gz IOVLSMPUYVDDEL-HLTSFMKQSA-N -1 3 239.340 2.570 20 10 BFCDHM CC1=CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876749014 590237231 /nfs/dbraw/zinc/23/72/31/590237231.db2.gz HBUIMBGWYOJKQG-UHFFFAOYSA-N -1 3 239.265 2.822 20 10 BFCDHM CC(C)[C@H]1CCN1Cc1ccc(F)c(F)c1[O-] ZINC000876879316 590252833 /nfs/dbraw/zinc/25/28/33/590252833.db2.gz PRRWMSGOBNQALD-LLVKDONJSA-N -1 3 241.281 2.901 20 10 BFCDHM CCc1nc(CNCc2ccc(C)cc2[O-])co1 ZINC000877571312 590362260 /nfs/dbraw/zinc/36/22/60/590362260.db2.gz UOGXTPDQLWQQJX-UHFFFAOYSA-N -1 3 246.310 2.541 20 10 BFCDHM Cc1ccncc1CN1Cc2cccc([O-])c2C1 ZINC000877702528 590396007 /nfs/dbraw/zinc/39/60/07/590396007.db2.gz AGCNVLQGBCEUNE-UHFFFAOYSA-N -1 3 240.306 2.611 20 10 BFCDHM Cc1ccc(CN2Cc3cccc([O-])c3C2)o1 ZINC000877703292 590396281 /nfs/dbraw/zinc/39/62/81/590396281.db2.gz AECPXASLXYDTIB-UHFFFAOYSA-N -1 3 229.279 2.809 20 10 BFCDHM CCC1(C)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894980084 636012003 /nfs/dbraw/zinc/01/20/03/636012003.db2.gz IUZZHUCWAKJZLY-UHFFFAOYSA-N -1 3 241.281 2.902 20 10 BFCDHM CCC(CC)C(=O)NCc1c([O-])cccc1F ZINC000928711205 711786100 /nfs/dbraw/zinc/78/61/00/711786100.db2.gz HMTLYQNLQGBMNA-UHFFFAOYSA-N -1 3 239.290 2.584 20 10 BFCDHM C[C@H]1CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933384 980113517 /nfs/dbraw/zinc/11/35/17/980113517.db2.gz ASCLHFSYNFYISE-ZETCQYMHSA-N -1 3 229.682 2.779 20 10 BFCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001140585363 960445442 /nfs/dbraw/zinc/44/54/42/960445442.db2.gz GXQHLDSENDJRPI-PELKAZGASA-N -1 3 239.265 2.655 20 10 BFCDHM [O-]c1cc(F)c(F)cc1CN1CCC(F)CC1 ZINC001142508652 961469303 /nfs/dbraw/zinc/46/93/03/961469303.db2.gz GQVDZXYNZBWWLL-UHFFFAOYSA-N -1 3 245.244 2.604 20 10 BFCDHM CC1(F)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203651857 966719920 /nfs/dbraw/zinc/71/99/20/966719920.db2.gz YHZDCTFUSFJLAD-UHFFFAOYSA-N -1 3 229.682 2.589 20 10 BFCDHM [O-]c1c(CN2CC3(CCC3)C2)ccc(F)c1F ZINC001233076186 978464554 /nfs/dbraw/zinc/46/45/54/978464554.db2.gz KMMNDJGPSYTQTQ-UHFFFAOYSA-N -1 3 239.265 2.656 20 10 BFCDHM CC(C)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001462153973 986295510 /nfs/dbraw/zinc/29/55/10/986295510.db2.gz GGDMKHMQSYJDDS-UHFFFAOYSA-N -1 3 241.281 2.758 20 10 BFCDHM C[C@@H]1C[C@H](F)CN1Cc1c([O-])cccc1Cl ZINC001140338027 991611028 /nfs/dbraw/zinc/61/10/28/991611028.db2.gz RRODPOXZLDSLAO-BDAKNGLRSA-N -1 3 243.709 2.978 20 10 BFCDHM C[C@H](N[C@@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287437306 398143349 /nfs/dbraw/zinc/14/33/49/398143349.db2.gz UEWSEVDREXEAOL-YUMQZZPRSA-N -1 3 233.233 2.994 20 10 BFCDHM C[C@@H](NCc1nccs1)c1ccccc1[O-] ZINC000041011670 343412424 /nfs/dbraw/zinc/41/24/24/343412424.db2.gz QMEGTGKQUBGDNN-SECBINFHSA-N -1 3 234.324 2.700 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CCSCC1 ZINC000040829036 183273281 /nfs/dbraw/zinc/27/32/81/183273281.db2.gz UQMUMNHHVWCVRR-UHFFFAOYSA-N -1 3 243.759 2.594 20 10 BFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCCC1 ZINC000294781374 183258407 /nfs/dbraw/zinc/25/84/07/183258407.db2.gz BSNMNGYMNUAZDW-UHFFFAOYSA-N -1 3 229.682 2.781 20 10 BFCDHM CCCOc1ccc(CN(C)CCF)c([O-])c1 ZINC000293513213 169318469 /nfs/dbraw/zinc/31/84/69/169318469.db2.gz AKPQPVSEAKAOJK-UHFFFAOYSA-N -1 3 241.306 2.582 20 10 BFCDHM C[C@]1(F)CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000295948717 386112085 /nfs/dbraw/zinc/11/20/85/386112085.db2.gz GYJPTWMAYWIGGY-ZDUSSCGKSA-N -1 3 241.281 2.855 20 10 BFCDHM C[C@@H]1c2cccn2CCN1Cc1ccccc1[O-] ZINC000179881949 134324838 /nfs/dbraw/zinc/32/48/38/134324838.db2.gz NGRBPYGRLQTCEF-GFCCVEGCSA-N -1 3 242.322 2.771 20 10 BFCDHM CCn1cc(N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062745857 172188565 /nfs/dbraw/zinc/18/85/65/172188565.db2.gz LCWUIKMOIXFLIV-SECBINFHSA-N -1 3 249.289 2.921 20 10 BFCDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000894861667 583535043 /nfs/dbraw/zinc/53/50/43/583535043.db2.gz LPLPJDNQLLDPQG-YUMQZZPRSA-N -1 3 227.254 2.511 20 10 BFCDHM Cc1ccc(CN2CC[C@H]2C(F)F)c([O-])c1 ZINC000895431405 583669998 /nfs/dbraw/zinc/66/99/98/583669998.db2.gz MFHYCFAWQQEDSQ-JTQLQIEISA-N -1 3 227.254 2.540 20 10 BFCDHM Cc1ccc(C(=O)Nc2ccccc2)c([O-])c1O ZINC000147908279 583996009 /nfs/dbraw/zinc/99/60/09/583996009.db2.gz BAPPYONFLLOGTJ-UHFFFAOYSA-N -1 3 243.262 2.659 20 10 BFCDHM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000731865722 584929988 /nfs/dbraw/zinc/92/99/88/584929988.db2.gz DXZGPWFQTLHNNQ-IUCAKERBSA-N -1 3 239.340 2.572 20 10 BFCDHM C[C@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731871995 584930060 /nfs/dbraw/zinc/93/00/60/584930060.db2.gz VKCSJKWTFPKVMY-VIFPVBQESA-N -1 3 239.340 2.716 20 10 BFCDHM CCCCCCNC(=O)c1cc([O-])cs1 ZINC000731867828 584930545 /nfs/dbraw/zinc/93/05/45/584930545.db2.gz XVYSEZDVEKCHGJ-UHFFFAOYSA-N -1 3 227.329 2.764 20 10 BFCDHM CCCCN(CC)C(=O)c1cc([O-])cs1 ZINC000731898130 584931279 /nfs/dbraw/zinc/93/12/79/584931279.db2.gz CNYVZHSXCLABBE-UHFFFAOYSA-N -1 3 227.329 2.716 20 10 BFCDHM O=C(Nc1ccccc1F)c1cc([O-])cs1 ZINC000732267060 584935007 /nfs/dbraw/zinc/93/50/07/584935007.db2.gz QTIZXBHSFZRMNJ-UHFFFAOYSA-N -1 3 237.255 2.845 20 10 BFCDHM CC(C)[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732277078 584935714 /nfs/dbraw/zinc/93/57/14/584935714.db2.gz DLSALCZBSZSLPB-SNVBAGLBSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000733809202 584953287 /nfs/dbraw/zinc/95/32/87/584953287.db2.gz BNUQRPPFZIXTPE-MRVPVSSYSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C(C)(C)C1 ZINC000746711974 585172350 /nfs/dbraw/zinc/17/23/50/585172350.db2.gz ZLNYLELDCQZXGQ-MRVPVSSYSA-N -1 3 239.340 2.714 20 10 BFCDHM CC(C)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000755863486 585308945 /nfs/dbraw/zinc/30/89/45/585308945.db2.gz AYYWKDOYMJKWQW-SECBINFHSA-N -1 3 239.340 2.572 20 10 BFCDHM CCC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000760913668 585401850 /nfs/dbraw/zinc/40/18/50/585401850.db2.gz MJZNTBRVCKIOHN-UHFFFAOYSA-N -1 3 227.329 2.620 20 10 BFCDHM CCN(CCC1CC1)C(=O)c1cc([O-])cs1 ZINC000761178443 585411974 /nfs/dbraw/zinc/41/19/74/585411974.db2.gz HCLWZUYOALWOBZ-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000772932063 585627782 /nfs/dbraw/zinc/62/77/82/585627782.db2.gz KRPGYDPFFGKSSG-IUCAKERBSA-N -1 3 239.340 2.857 20 10 BFCDHM [O-]c1c(Cl)cccc1CN1CC(C2CC2)C1 ZINC000812776318 586583507 /nfs/dbraw/zinc/58/35/07/586583507.db2.gz UAFRMGZFUIDHND-UHFFFAOYSA-N -1 3 237.730 2.887 20 10 BFCDHM CCN(CC(C)(C)C)C(=O)c1cc([O-])cs1 ZINC000812755568 586583768 /nfs/dbraw/zinc/58/37/68/586583768.db2.gz AMPHAMNFYOYUAP-UHFFFAOYSA-N -1 3 241.356 2.962 20 10 BFCDHM CC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595310 586743474 /nfs/dbraw/zinc/74/34/74/586743474.db2.gz ITQKDRQSMXZJOM-UHFFFAOYSA-N -1 3 229.682 2.636 20 10 BFCDHM CC1(NC(=O)c2cc([O-])cs2)CCCCC1 ZINC000823193807 587207666 /nfs/dbraw/zinc/20/76/66/587207666.db2.gz AZVGUZQJKKRIQQ-UHFFFAOYSA-N -1 3 239.340 2.906 20 10 BFCDHM CC1(NC(=O)c2cc([O-])cs2)CCCC1 ZINC000823730236 587238262 /nfs/dbraw/zinc/23/82/62/587238262.db2.gz VVULFAUVFKRILS-UHFFFAOYSA-N -1 3 225.313 2.516 20 10 BFCDHM CC[C@@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000824510629 587272809 /nfs/dbraw/zinc/27/28/09/587272809.db2.gz YKVGSKTUNTUEHI-SECBINFHSA-N -1 3 233.233 2.665 20 10 BFCDHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000826064592 587349072 /nfs/dbraw/zinc/34/90/72/587349072.db2.gz LZEWYPKKDAAJJC-IUCAKERBSA-N -1 3 239.340 2.857 20 10 BFCDHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000829433143 587497124 /nfs/dbraw/zinc/49/71/24/587497124.db2.gz SLTPEZWWNLNBTR-RKDXNWHRSA-N -1 3 239.340 2.714 20 10 BFCDHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000829433139 587497135 /nfs/dbraw/zinc/49/71/35/587497135.db2.gz SLTPEZWWNLNBTR-DTWKUNHWSA-N -1 3 239.340 2.714 20 10 BFCDHM CC(C)C(NC(=O)c1cc([O-])cs1)C(C)C ZINC000830610788 587559916 /nfs/dbraw/zinc/55/99/16/587559916.db2.gz IXHWENPGHZJGAQ-UHFFFAOYSA-N -1 3 241.356 2.864 20 10 BFCDHM CCc1nc(CN[C@@H](C)c2ccccc2[O-])co1 ZINC000834896439 587769705 /nfs/dbraw/zinc/76/97/05/587769705.db2.gz BAPBMFIZIUVADI-JTQLQIEISA-N -1 3 246.310 2.793 20 10 BFCDHM C[C@H](NCCF)c1ccc(Cl)cc1[O-] ZINC000841751866 587973797 /nfs/dbraw/zinc/97/37/97/587973797.db2.gz KZZPZOVDCINVET-ZETCQYMHSA-N -1 3 217.671 2.666 20 10 BFCDHM CCCCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846472711 588266998 /nfs/dbraw/zinc/26/69/98/588266998.db2.gz MBFBGRJSICEVCO-UHFFFAOYSA-N -1 3 241.718 2.852 20 10 BFCDHM Cc1nc(CNCc2ccc(C)cc2[O-])cs1 ZINC000876914665 590256296 /nfs/dbraw/zinc/25/62/96/590256296.db2.gz UOKITHXZGUJMFF-UHFFFAOYSA-N -1 3 248.351 2.755 20 10 BFCDHM O=C(NC1CCCCCC1)c1cccc(O)c1[O-] ZINC000126244415 590260550 /nfs/dbraw/zinc/26/05/50/590260550.db2.gz WNGLJJQXJZCGHE-UHFFFAOYSA-N -1 3 249.310 2.550 20 10 BFCDHM Cc1occc1CN1Cc2cccc([O-])c2C1 ZINC000877702729 590396090 /nfs/dbraw/zinc/39/60/90/590396090.db2.gz FOHPHHLLTXVORA-UHFFFAOYSA-N -1 3 229.279 2.809 20 10 BFCDHM CCCCC1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000889528517 592618265 /nfs/dbraw/zinc/61/82/65/592618265.db2.gz OEMZKLABTHMRLR-UHFFFAOYSA-N -1 3 249.310 2.550 20 10 BFCDHM [O-]c1c(F)cc(F)cc1CN1CCC(F)CC1 ZINC000708440990 712194680 /nfs/dbraw/zinc/19/46/80/712194680.db2.gz GSYFFDXUSPHABU-UHFFFAOYSA-N -1 3 245.244 2.604 20 10 BFCDHM [O-]c1c(Cl)cc(Cl)cc1CNCCF ZINC000379504462 712386769 /nfs/dbraw/zinc/38/67/69/712386769.db2.gz QFKAFYUAXYNSDD-UHFFFAOYSA-N -1 3 238.089 2.758 20 10 BFCDHM C[C@@H](CF)NCc1cc(Cl)cc(F)c1[O-] ZINC000379953822 712636154 /nfs/dbraw/zinc/63/61/54/712636154.db2.gz FTTIDDLTYNPMDS-LURJTMIESA-N -1 3 235.661 2.632 20 10 BFCDHM [O-]c1c(CN2CCC2)cccc1C(F)(F)F ZINC001233416184 978597037 /nfs/dbraw/zinc/59/70/37/978597037.db2.gz YSQPIVINHMYYGQ-UHFFFAOYSA-N -1 3 231.217 2.617 20 10 BFCDHM [O-]c1cc2ccccc2cc1CN1CCCO1 ZINC001236827432 979745952 /nfs/dbraw/zinc/74/59/52/979745952.db2.gz RUVZUWRGQGOABY-UHFFFAOYSA-N -1 3 229.279 2.683 20 10 BFCDHM C[C@H]1C[C@@H](CF)N(Cc2c([O-])cccc2F)C1 ZINC001137833071 990856129 /nfs/dbraw/zinc/85/61/29/990856129.db2.gz REAROZCMFGECIO-UWVGGRQHSA-N -1 3 241.281 2.711 20 10 BFCDHM C[C@@]1(F)CCCN(Cc2c([O-])cccc2F)C1 ZINC001137833109 990857151 /nfs/dbraw/zinc/85/71/51/990857151.db2.gz SZJSUMZGEPCNAB-CYBMUJFWSA-N -1 3 241.281 2.855 20 10 BFCDHM C[C@@H]([NH2+]C1CC(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594261909 999013147 /nfs/dbraw/zinc/01/31/47/999013147.db2.gz RUPKUFWDLHWYBE-INWMGODYSA-N -1 3 249.310 2.540 20 10 BFCDHM [O-]c1c(F)cccc1CNc1cccc(CO)c1 ZINC000083376625 183168259 /nfs/dbraw/zinc/16/82/59/183168259.db2.gz SMCNEFGBTWXERO-UHFFFAOYSA-N -1 3 247.269 2.636 20 10 BFCDHM [O-]c1cccc(Cl)c1CNC1CC(F)(F)C1 ZINC000277428675 183292926 /nfs/dbraw/zinc/29/29/26/183292926.db2.gz HDEUJGUFBLGBPS-UHFFFAOYSA-N -1 3 247.672 2.933 20 10 BFCDHM CCCN(Cc1ccccc1[O-])CC(F)F ZINC000112979393 169179462 /nfs/dbraw/zinc/17/94/62/169179462.db2.gz QTYOAGCNHYBBGP-UHFFFAOYSA-N -1 3 229.270 2.869 20 10 BFCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]1CF ZINC000294077004 385799191 /nfs/dbraw/zinc/79/91/91/385799191.db2.gz QVRJBOXGLVXOLN-SNVBAGLBSA-N -1 3 243.709 2.980 20 10 BFCDHM CC[C@H](NCCF)c1ccc(F)cc1[O-] ZINC000287271019 387399999 /nfs/dbraw/zinc/39/99/99/387399999.db2.gz CLAPFKDZDZXTHA-JTQLQIEISA-N -1 3 215.243 2.542 20 10 BFCDHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([O-])cs1 ZINC000854897137 588815923 /nfs/dbraw/zinc/81/59/23/588815923.db2.gz XQRGPCYBHQBFLP-MRVPVSSYSA-N -1 3 239.340 2.857 20 10 BFCDHM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(O)c1[O-] ZINC000854897802 588816004 /nfs/dbraw/zinc/81/60/04/588816004.db2.gz IFAKKGQROKXEEW-SECBINFHSA-N -1 3 249.310 2.501 20 10 BFCDHM CC(C)CC1(NC(=O)c2cc([O-])cs2)CC1 ZINC000856191456 588863978 /nfs/dbraw/zinc/86/39/78/588863978.db2.gz GLSLQAILECIDFO-UHFFFAOYSA-N -1 3 239.340 2.762 20 10 BFCDHM CN(C[C@H]1CC1(C)C)C(=O)c1cc([O-])cs1 ZINC000856458392 588872875 /nfs/dbraw/zinc/87/28/75/588872875.db2.gz JKFZHGYVPVJIFU-MRVPVSSYSA-N -1 3 239.340 2.572 20 10 BFCDHM Cc1ncccc1CN1Cc2cccc([O-])c2C1 ZINC000877702597 583343309 /nfs/dbraw/zinc/34/33/09/583343309.db2.gz CYRLSXPQZDYNIR-UHFFFAOYSA-N -1 3 240.306 2.611 20 10 BFCDHM CC1=CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894648803 583500562 /nfs/dbraw/zinc/50/05/62/583500562.db2.gz LQXPRQVOPFCEOR-UHFFFAOYSA-N -1 3 239.265 2.822 20 10 BFCDHM C[C@@H]1[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894862458 583536776 /nfs/dbraw/zinc/53/67/76/583536776.db2.gz YUIKOGASBYUDDJ-JGVFFNPUSA-N -1 3 227.254 2.511 20 10 BFCDHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000731865721 584930083 /nfs/dbraw/zinc/93/00/83/584930083.db2.gz DXZGPWFQTLHNNQ-DTORHVGOSA-N -1 3 239.340 2.572 20 10 BFCDHM O=C(NCCC1CCCC1)c1cc([O-])cs1 ZINC000731876066 584930243 /nfs/dbraw/zinc/93/02/43/584930243.db2.gz NQWGYMKIMHNSEV-UHFFFAOYSA-N -1 3 239.340 2.764 20 10 BFCDHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000731867188 584930622 /nfs/dbraw/zinc/93/06/22/584930622.db2.gz YZYHNGYDWZBNBP-PSASIEDQSA-N -1 3 239.340 2.762 20 10 BFCDHM O=C(NC[C@H]1CC=CCC1)c1cc([O-])cs1 ZINC000732278940 584935537 /nfs/dbraw/zinc/93/55/37/584935537.db2.gz IKRWGZYJLVLGIL-VIFPVBQESA-N -1 3 237.324 2.540 20 10 BFCDHM O=C(Nc1ccsc1)c1cc([O-])cs1 ZINC000741287789 585112586 /nfs/dbraw/zinc/11/25/86/585112586.db2.gz YRFISSUGCZGPOB-UHFFFAOYSA-N -1 3 225.294 2.768 20 10 BFCDHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000743821642 585140082 /nfs/dbraw/zinc/14/00/82/585140082.db2.gz SYPKRWKZOKATTR-BDAKNGLRSA-N -1 3 239.340 2.714 20 10 BFCDHM CC[C@@H](C)CN(CC)C(=O)c1cc([O-])cs1 ZINC000748434647 585193078 /nfs/dbraw/zinc/19/30/78/585193078.db2.gz JBLRQPGAHWNBIV-SECBINFHSA-N -1 3 241.356 2.962 20 10 BFCDHM O=C(NCCC1=CCCC1)c1cc([O-])cs1 ZINC000753822584 585270262 /nfs/dbraw/zinc/27/02/62/585270262.db2.gz USVNQIPJNKHWTC-UHFFFAOYSA-N -1 3 237.324 2.684 20 10 BFCDHM CC(C)(C)C1CN(C(=O)c2cc([O-])cs2)C1 ZINC000839791965 585384815 /nfs/dbraw/zinc/38/48/15/585384815.db2.gz DZRCHAHPPZTUSZ-UHFFFAOYSA-N -1 3 239.340 2.572 20 10 BFCDHM O=C(N[C@H]1CC12CCCC2)c1cc([O-])cs1 ZINC000760910940 585401711 /nfs/dbraw/zinc/40/17/11/585401711.db2.gz MSGGFPAMQGSVLL-JTQLQIEISA-N -1 3 237.324 2.516 20 10 BFCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[C@@H]1C ZINC000767153379 585514859 /nfs/dbraw/zinc/51/48/59/585514859.db2.gz RDXRARHGSGYLQS-IUCAKERBSA-N -1 3 239.340 2.572 20 10 BFCDHM C[C@@H](CCC1CC1)NC(=O)c1cc([O-])cs1 ZINC000769656985 585561107 /nfs/dbraw/zinc/56/11/07/585561107.db2.gz MWCRYXZXPBNLEM-QMMMGPOBSA-N -1 3 239.340 2.762 20 10 BFCDHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000772932061 585627679 /nfs/dbraw/zinc/62/76/79/585627679.db2.gz KRPGYDPFFGKSSG-DTWKUNHWSA-N -1 3 239.340 2.857 20 10 BFCDHM C[C@H]1CCCCN(C(=O)c2cc([O-])cs2)C1 ZINC000776259678 585694329 /nfs/dbraw/zinc/69/43/29/585694329.db2.gz OTNGLMRZNLDTJN-VIFPVBQESA-N -1 3 239.340 2.716 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CC=CCC1 ZINC000779159405 585746025 /nfs/dbraw/zinc/74/60/25/585746025.db2.gz IVQZOQCPUBBNDY-UHFFFAOYSA-N -1 3 223.703 2.808 20 10 BFCDHM CC(C)C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000783934649 585846037 /nfs/dbraw/zinc/84/60/37/585846037.db2.gz RGTHLLLFQRNBRA-UHFFFAOYSA-N -1 3 241.356 2.866 20 10 BFCDHM C[C@@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000795993907 586095630 /nfs/dbraw/zinc/09/56/30/586095630.db2.gz VWQSKJRWRLEZBL-RKDXNWHRSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@@H](NC1(C(F)F)CC1)c1cc(F)ccc1[O-] ZINC000800503224 586223411 /nfs/dbraw/zinc/22/34/11/586223411.db2.gz PXDJIDKIHKLSHH-SSDOTTSWSA-N -1 3 245.244 2.980 20 10 BFCDHM Cc1cc(Cl)cc(CN(C)CCF)c1[O-] ZINC000816640321 586747049 /nfs/dbraw/zinc/74/70/49/586747049.db2.gz DAEZPNPHELBFOK-UHFFFAOYSA-N -1 3 231.698 2.755 20 10 BFCDHM [O-]c1c(Cl)cccc1CN1CC2(CC2)C1 ZINC000824534048 587274276 /nfs/dbraw/zinc/27/42/76/587274276.db2.gz YNXCFIHMYKJRBU-UHFFFAOYSA-N -1 3 223.703 2.641 20 10 BFCDHM CCc1nc(CN[C@H](C)c2ccccc2[O-])co1 ZINC000834896440 587769528 /nfs/dbraw/zinc/76/95/28/587769528.db2.gz BAPBMFIZIUVADI-SNVBAGLBSA-N -1 3 246.310 2.793 20 10 BFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1C=CCC1 ZINC000850358357 588538599 /nfs/dbraw/zinc/53/85/99/588538599.db2.gz BVKJQNGUFGPZIB-MRVPVSSYSA-N -1 3 241.693 2.993 20 10 BFCDHM Cc1nc(CN(C)Cc2ccccc2[O-])c(C)o1 ZINC000851840596 588634454 /nfs/dbraw/zinc/63/44/54/588634454.db2.gz IIYXGBCTXZBZHD-UHFFFAOYSA-N -1 3 246.310 2.629 20 10 BFCDHM Cc1ccc(CN2Cc3cccc([O-])c3C2)nc1 ZINC000877703252 590396660 /nfs/dbraw/zinc/39/66/60/590396660.db2.gz YHGSIAVQYDNVID-UHFFFAOYSA-N -1 3 240.306 2.611 20 10 BFCDHM Cc1nc(CN2Cc3cccc([O-])c3C2)cs1 ZINC000877703579 590397514 /nfs/dbraw/zinc/39/75/14/590397514.db2.gz PKGHTRPKLOMZPI-UHFFFAOYSA-N -1 3 246.335 2.673 20 10 BFCDHM CCOc1ccc(CN[C@H](C)C(F)F)c([O-])c1 ZINC000883406995 591650114 /nfs/dbraw/zinc/65/01/14/591650114.db2.gz HYQTZDPLWMHXEN-MRVPVSSYSA-N -1 3 245.269 2.534 20 10 BFCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1cn[nH]c1 ZINC000886556574 592259961 /nfs/dbraw/zinc/25/99/61/592259961.db2.gz FUFHBMFNFJOJHU-IUCAKERBSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@@H](NC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886601038 592273100 /nfs/dbraw/zinc/27/31/00/592273100.db2.gz ICSGUKUQOMGXCQ-SSDOTTSWSA-N -1 3 245.244 2.980 20 10 BFCDHM C[C@@H](NCC(C)(C)F)c1c([O-])cccc1F ZINC000886645241 592287333 /nfs/dbraw/zinc/28/73/33/592287333.db2.gz UUYBFUWJXRTLEW-MRVPVSSYSA-N -1 3 229.270 2.930 20 10 BFCDHM [O-]c1c(Cl)cccc1CNCc1ccco1 ZINC000162822996 633040098 /nfs/dbraw/zinc/04/00/98/633040098.db2.gz KMOSIQQLHCTYQO-UHFFFAOYSA-N -1 3 237.686 2.928 20 10 BFCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC=CCC1 ZINC000928707828 636340986 /nfs/dbraw/zinc/34/09/86/636340986.db2.gz CMSGITWFWNNCSP-SNVBAGLBSA-N -1 3 249.285 2.504 20 10 BFCDHM CC(F)(F)CNCc1c([O-])cccc1Cl ZINC000378757286 712361133 /nfs/dbraw/zinc/36/11/33/712361133.db2.gz TVCGOSKJHCENNT-UHFFFAOYSA-N -1 3 235.661 2.790 20 10 BFCDHM C/C(=C\C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928712555 711786181 /nfs/dbraw/zinc/78/61/81/711786181.db2.gz SQDFISLZRJZKTI-VQHVLOKHSA-N -1 3 249.285 2.504 20 10 BFCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140461735 958492304 /nfs/dbraw/zinc/49/23/04/958492304.db2.gz SHBWBKWSABPHGY-KCJUWKMLSA-N -1 3 243.709 2.835 20 10 BFCDHM [O-]c1ccc2ccccc2c1CN1CCCO1 ZINC001231588799 977637321 /nfs/dbraw/zinc/63/73/21/977637321.db2.gz UJHWKLDLCHQVDS-UHFFFAOYSA-N -1 3 229.279 2.683 20 10 BFCDHM C[C@@H]1CCN(Cc2c([O-])cccc2F)C[C@H]1F ZINC001137831993 990857345 /nfs/dbraw/zinc/85/73/45/990857345.db2.gz VYEZNLLWYQOUMV-BXKDBHETSA-N -1 3 241.281 2.711 20 10 BFCDHM CCN(C(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126257783 384783877 /nfs/dbraw/zinc/78/38/77/384783877.db2.gz HAXRWJYRBXAEIL-UHFFFAOYSA-N -1 3 249.310 2.503 20 10 BFCDHM [O-]c1c(Cl)cccc1CN1CCSCC1 ZINC000179666116 385482297 /nfs/dbraw/zinc/48/22/97/385482297.db2.gz PGVLQFOGBUMMOF-UHFFFAOYSA-N -1 3 243.759 2.594 20 10 BFCDHM C[C@H](CF)NCc1cc(Cl)c(F)cc1[O-] ZINC000293830656 386885900 /nfs/dbraw/zinc/88/59/00/386885900.db2.gz GLWMXCQFSRGJEZ-ZCFIWIBFSA-N -1 3 235.661 2.632 20 10 BFCDHM CCN(C(=O)c1cc([O-])cs1)[C@H](C)C(C)C ZINC000854510251 588789853 /nfs/dbraw/zinc/78/98/53/588789853.db2.gz LSKFOJMKCWTKJF-SECBINFHSA-N -1 3 241.356 2.960 20 10 BFCDHM CC(C)[C@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000856125093 588861481 /nfs/dbraw/zinc/86/14/81/588861481.db2.gz ZVZBYUBQBSJIGW-NSHDSACASA-N -1 3 239.340 2.618 20 10 BFCDHM [O-]c1c(CN2CC(C3CC3)C2)ccc(F)c1F ZINC000877542513 583325631 /nfs/dbraw/zinc/32/56/31/583325631.db2.gz SHBJTBGRIKGDBG-UHFFFAOYSA-N -1 3 239.265 2.512 20 10 BFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H]1C1CC1 ZINC000894880064 583543627 /nfs/dbraw/zinc/54/36/27/583543627.db2.gz BUVMDZCKPSJJFM-LBPRGKRZSA-N -1 3 239.265 2.655 20 10 BFCDHM Cc1coc(CN2Cc3cccc([O-])c3C2)c1 ZINC000895449449 583675837 /nfs/dbraw/zinc/67/58/37/583675837.db2.gz JFOMQCIFWOOXQB-UHFFFAOYSA-N -1 3 229.279 2.809 20 10 BFCDHM CCCN(CC(F)F)C(=O)c1cc([O-])cs1 ZINC000731872805 584930018 /nfs/dbraw/zinc/93/00/18/584930018.db2.gz RISHGYINGULOGZ-UHFFFAOYSA-N -1 3 249.282 2.571 20 10 BFCDHM C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731871994 584930155 /nfs/dbraw/zinc/93/01/55/584930155.db2.gz VKCSJKWTFPKVMY-SECBINFHSA-N -1 3 239.340 2.716 20 10 BFCDHM O=C(OCc1ccccc1)c1cc([O-])cs1 ZINC000731909592 584931100 /nfs/dbraw/zinc/93/11/00/584931100.db2.gz FHUHIMPQMQZOIA-UHFFFAOYSA-N -1 3 234.276 2.811 20 10 BFCDHM CC[C@H](C)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732277988 584935608 /nfs/dbraw/zinc/93/56/08/584935608.db2.gz UGQPIERHQNVVOW-JGVFFNPUSA-N -1 3 227.329 2.618 20 10 BFCDHM CC[C@@H](C)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732277989 584935659 /nfs/dbraw/zinc/93/56/59/584935659.db2.gz UGQPIERHQNVVOW-SFYZADRCSA-N -1 3 227.329 2.618 20 10 BFCDHM CC[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000734861836 584969002 /nfs/dbraw/zinc/96/90/02/584969002.db2.gz AGUJKXZROJLPJS-VIFPVBQESA-N -1 3 239.340 2.858 20 10 BFCDHM Cc1cccc(NC(=O)c2cc([O-])cs2)c1O ZINC000748860061 585197291 /nfs/dbraw/zinc/19/72/91/585197291.db2.gz NQLNIBCEQPUZLI-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM C[C@@H](N(C)C(=O)c1cc([O-])cs1)C1(C)CC1 ZINC000752824116 585250614 /nfs/dbraw/zinc/25/06/14/585250614.db2.gz HTSNWMCMLWUAMW-MRVPVSSYSA-N -1 3 239.340 2.714 20 10 BFCDHM CCCC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000760148577 585386147 /nfs/dbraw/zinc/38/61/47/585386147.db2.gz JFOFSIYGWGIHOJ-UHFFFAOYSA-N -1 3 239.340 2.764 20 10 BFCDHM CC1(C)CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000768884639 585545410 /nfs/dbraw/zinc/54/54/10/585545410.db2.gz KVBAFAJXGNKIKI-QMMMGPOBSA-N -1 3 239.340 2.762 20 10 BFCDHM Cc1cnc([C@H](C)N(C)Cc2ccccc2[O-])o1 ZINC000771449472 585594298 /nfs/dbraw/zinc/59/42/98/585594298.db2.gz XBRFQHVZULBMHY-NSHDSACASA-N -1 3 246.310 2.882 20 10 BFCDHM C[C@H]1CCN(Cc2cc(F)ccc2[O-])C[C@H]1F ZINC000779151253 585745685 /nfs/dbraw/zinc/74/56/85/585745685.db2.gz WCOKPFWKJOUDKG-JOYOIKCWSA-N -1 3 241.281 2.711 20 10 BFCDHM Cc1cncc(COC(=O)c2cc([O-])cs2)c1 ZINC000785673322 585877139 /nfs/dbraw/zinc/87/71/39/585877139.db2.gz IMCJUMIZTXLYNF-UHFFFAOYSA-N -1 3 249.291 2.514 20 10 BFCDHM C[C@@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000795993900 586095652 /nfs/dbraw/zinc/09/56/52/586095652.db2.gz VWQSKJRWRLEZBL-BDAKNGLRSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@@H]1[C@@H](C)CN1Cc1c([O-])cccc1Cl ZINC000816647071 586749286 /nfs/dbraw/zinc/74/92/86/586749286.db2.gz NDMKCHJIBPVLNC-DTWKUNHWSA-N -1 3 225.719 2.886 20 10 BFCDHM Cc1cc([O-])c(CN2CC(F)C2)cc1Cl ZINC000825494621 587321473 /nfs/dbraw/zinc/32/14/73/587321473.db2.gz QHMFAWARAMONNP-UHFFFAOYSA-N -1 3 229.682 2.508 20 10 BFCDHM Cc1cc([O-])c(CNC(CF)CF)cc1Cl ZINC000826030441 587349085 /nfs/dbraw/zinc/34/90/85/587349085.db2.gz ZCRKIKYDJVXDNI-UHFFFAOYSA-N -1 3 249.688 2.751 20 10 BFCDHM CCc1ncc(CN[C@@H](C)c2ccccc2[O-])o1 ZINC000834898315 587769763 /nfs/dbraw/zinc/76/97/63/587769763.db2.gz CCPJADYYWPNFAW-JTQLQIEISA-N -1 3 246.310 2.793 20 10 BFCDHM CCN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840910316 587929642 /nfs/dbraw/zinc/92/96/42/587929642.db2.gz QNATYKHOIAPDIV-UHFFFAOYSA-N -1 3 213.708 2.806 20 10 BFCDHM Cc1cc([O-])c(CN(C)C2CC2)c(Cl)c1 ZINC000840910501 587929770 /nfs/dbraw/zinc/92/97/70/587929770.db2.gz OKHRHCOIQIAJGZ-UHFFFAOYSA-N -1 3 225.719 2.948 20 10 BFCDHM Cc1cc([O-])c(CNC(CF)CF)c(Cl)c1 ZINC000840949903 587931546 /nfs/dbraw/zinc/93/15/46/587931546.db2.gz CDYKBWYMMXUEGR-UHFFFAOYSA-N -1 3 249.688 2.751 20 10 BFCDHM C/C=C(\C)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846476168 588267126 /nfs/dbraw/zinc/26/71/26/588267126.db2.gz LKJWNJHICYNUSL-FPYGCLRLSA-N -1 3 239.702 2.628 20 10 BFCDHM CCCN(C(=O)c1cc([O-])cs1)C(C)C ZINC000848390468 588376194 /nfs/dbraw/zinc/37/61/94/588376194.db2.gz PISWJWWEPHCZIT-UHFFFAOYSA-N -1 3 227.329 2.714 20 10 BFCDHM CC(C)(F)CNCc1c([O-])cccc1Cl ZINC000865653993 589454596 /nfs/dbraw/zinc/45/45/96/589454596.db2.gz KDFYPDRMCIJCIQ-UHFFFAOYSA-N -1 3 231.698 2.883 20 10 BFCDHM O=C(N[C@]12C[C@H]1CCCC2)c1cc([O-])cs1 ZINC000870535781 589672173 /nfs/dbraw/zinc/67/21/73/589672173.db2.gz NRDUTLJSKJIFOF-PRHODGIISA-N -1 3 237.324 2.516 20 10 BFCDHM CC1(C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000876743235 590235871 /nfs/dbraw/zinc/23/58/71/590235871.db2.gz CRRHZWRALBUYSX-UHFFFAOYSA-N -1 3 227.254 2.655 20 10 BFCDHM Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126187620 590246442 /nfs/dbraw/zinc/24/64/42/590246442.db2.gz ARGFJNFKBXZUQD-UHFFFAOYSA-N -1 3 243.262 2.659 20 10 BFCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126233988 590255508 /nfs/dbraw/zinc/25/55/08/590255508.db2.gz NAHPBIAKHVQBOW-UHFFFAOYSA-N -1 3 243.262 2.659 20 10 BFCDHM CC[C@H](NCc1ccc(C)cc1[O-])C(F)F ZINC000877556187 590357736 /nfs/dbraw/zinc/35/77/36/590357736.db2.gz BGYFLRJKHZKBHD-JTQLQIEISA-N -1 3 229.270 2.834 20 10 BFCDHM CCC(F)(F)CNCc1ccc(C)cc1[O-] ZINC000877654419 590385502 /nfs/dbraw/zinc/38/55/02/590385502.db2.gz COERXJPRHROGDU-UHFFFAOYSA-N -1 3 229.270 2.836 20 10 BFCDHM CC(C)(F)CNCc1ccc(F)c(F)c1[O-] ZINC000877663553 590388193 /nfs/dbraw/zinc/38/81/93/590388193.db2.gz UIWYFPDVRFFBOB-UHFFFAOYSA-N -1 3 233.233 2.508 20 10 BFCDHM CC1(C)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877718005 590399652 /nfs/dbraw/zinc/39/96/52/590399652.db2.gz VJNGOFJUOXETMP-UHFFFAOYSA-N -1 3 225.719 2.887 20 10 BFCDHM CCn1ncc(NCc2cc(F)ccc2[O-])c1C ZINC000877832187 590430132 /nfs/dbraw/zinc/43/01/32/590430132.db2.gz HPIPKJCSUVCCGP-UHFFFAOYSA-N -1 3 249.289 2.668 20 10 BFCDHM CCn1cc(N[C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886578460 592267743 /nfs/dbraw/zinc/26/77/43/592267743.db2.gz XQARWIBWFJYGHW-VIFPVBQESA-N -1 3 249.289 2.921 20 10 BFCDHM [O-]c1c(CNCC(F)F)ccc2ccccc21 ZINC001205715787 967801228 /nfs/dbraw/zinc/80/12/28/967801228.db2.gz ANTKWXJADSCBIR-UHFFFAOYSA-N -1 3 237.249 2.900 20 10 BFCDHM CCC1([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001595390242 980945962 /nfs/dbraw/zinc/94/59/62/980945962.db2.gz AACOXIVEXJQNFZ-VIFPVBQESA-N -1 3 249.310 2.684 20 10 BFCDHM [O-]c1c(F)cccc1CN1CCCC[C@@H](F)C1 ZINC001138122568 990885034 /nfs/dbraw/zinc/88/50/34/990885034.db2.gz NKXKWPHVEQRFDI-LLVKDONJSA-N -1 3 241.281 2.855 20 10 BFCDHM [O-]c1cc(Cl)ccc1CN1CC[C@H](F)C1 ZINC001140462936 991644542 /nfs/dbraw/zinc/64/45/42/991644542.db2.gz OPMOKCVZOMXZNT-JTQLQIEISA-N -1 3 229.682 2.589 20 10 BFCDHM Cc1cc(Cl)cc(CNCC(F)F)c1[O-] ZINC000298136782 178064327 /nfs/dbraw/zinc/06/43/27/178064327.db2.gz QLVPGXVBTGRRMN-UHFFFAOYSA-N -1 3 235.661 2.709 20 10 BFCDHM CC(C)(NCc1ccccc1[O-])c1nccs1 ZINC000116380885 187294766 /nfs/dbraw/zinc/29/47/66/187294766.db2.gz CFUNEAOBKHLJJO-UHFFFAOYSA-N -1 3 248.351 2.874 20 10 BFCDHM CCCN(Cc1cc[nH]n1)Cc1ccccc1[O-] ZINC000092705073 169175923 /nfs/dbraw/zinc/17/59/23/169175923.db2.gz PMHVZIMQDMNOKR-UHFFFAOYSA-N -1 3 245.326 2.528 20 10 BFCDHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000126521694 384806288 /nfs/dbraw/zinc/80/62/88/384806288.db2.gz QLYVWPDVADHTJA-ZJUUUORDSA-N -1 3 249.310 2.501 20 10 BFCDHM C[C@@]1(NC(=O)c2cc([O-])cs2)CC=CCC1 ZINC000854918237 588816809 /nfs/dbraw/zinc/81/68/09/588816809.db2.gz PAYFAMRYIAQNBW-GFCCVEGCSA-N -1 3 237.324 2.682 20 10 BFCDHM C[C@]1(NC(=O)c2cc([O-])cs2)CC=CCC1 ZINC000854918238 588816878 /nfs/dbraw/zinc/81/68/78/588816878.db2.gz PAYFAMRYIAQNBW-LBPRGKRZSA-N -1 3 237.324 2.682 20 10 BFCDHM COc1ccc(CN(C)Cc2ccccc2[O-])o1 ZINC000891713430 582712108 /nfs/dbraw/zinc/71/21/08/582712108.db2.gz DKFLYPMTUJGQDX-UHFFFAOYSA-N -1 3 247.294 2.626 20 10 BFCDHM Cc1cnc(CN[C@H](C)c2ccccc2[O-])o1 ZINC000223661022 582805386 /nfs/dbraw/zinc/80/53/86/582805386.db2.gz AONGEFRKYGJCER-SNVBAGLBSA-N -1 3 232.283 2.539 20 10 BFCDHM Cc1cccc([O-])c1CN1CC[C@@H]1C(F)F ZINC000895432115 583670815 /nfs/dbraw/zinc/67/08/15/583670815.db2.gz UXMAAIJATDHHID-SNVBAGLBSA-N -1 3 227.254 2.540 20 10 BFCDHM Cc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000731864315 584929780 /nfs/dbraw/zinc/92/97/80/584929780.db2.gz UOBLKWPELFNPOM-UHFFFAOYSA-N -1 3 247.319 2.692 20 10 BFCDHM CC[C@H](C)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732277990 584935710 /nfs/dbraw/zinc/93/57/10/584935710.db2.gz UGQPIERHQNVVOW-YUMQZZPRSA-N -1 3 227.329 2.618 20 10 BFCDHM CCC(CC)CNC(=O)c1cc([O-])cs1 ZINC000732287730 584935769 /nfs/dbraw/zinc/93/57/69/584935769.db2.gz DVFBDEZITZMTMG-UHFFFAOYSA-N -1 3 227.329 2.620 20 10 BFCDHM O=C(OCCC(F)(F)F)c1cc([O-])cs1 ZINC000732353458 584936223 /nfs/dbraw/zinc/93/62/23/584936223.db2.gz PTRFCDPPZGUKLZ-UHFFFAOYSA-N -1 3 240.202 2.563 20 10 BFCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1ccn(C)n1 ZINC000840815496 585068232 /nfs/dbraw/zinc/06/82/32/585068232.db2.gz FNPSEOVAFFBZJZ-WDEREUQCSA-N -1 3 245.326 2.538 20 10 BFCDHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000757434077 585336714 /nfs/dbraw/zinc/33/67/14/585336714.db2.gz AZAOCDDOWVCVAR-SCZZXKLOSA-N -1 3 239.340 2.762 20 10 BFCDHM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])cs1 ZINC000760910941 585401707 /nfs/dbraw/zinc/40/17/07/585401707.db2.gz MSGGFPAMQGSVLL-SNVBAGLBSA-N -1 3 237.324 2.516 20 10 BFCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000767153378 585514948 /nfs/dbraw/zinc/51/49/48/585514948.db2.gz RDXRARHGSGYLQS-DTWKUNHWSA-N -1 3 239.340 2.572 20 10 BFCDHM Cc1ccnc(COC(=O)c2cc([O-])cs2)c1 ZINC000791382617 585979670 /nfs/dbraw/zinc/97/96/70/585979670.db2.gz NSPBZBVISSPGQJ-UHFFFAOYSA-N -1 3 249.291 2.514 20 10 BFCDHM Cc1ncccc1COC(=O)c1cc([O-])cs1 ZINC000811119744 586555277 /nfs/dbraw/zinc/55/52/77/586555277.db2.gz DBHKPBGFBMNIGS-UHFFFAOYSA-N -1 3 249.291 2.514 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CC(C2CC2)C1 ZINC000812776572 586584121 /nfs/dbraw/zinc/58/41/21/586584121.db2.gz VVCCEHAIORRPKH-UHFFFAOYSA-N -1 3 237.730 2.887 20 10 BFCDHM COc1cccc([O-])c1CNCc1occc1C ZINC000813791082 586606458 /nfs/dbraw/zinc/60/64/58/586606458.db2.gz ROYQRMGJLUUMRS-UHFFFAOYSA-N -1 3 247.294 2.592 20 10 BFCDHM Cc1cc(Cl)cc(CN2CC[C@H](F)C2)c1[O-] ZINC000824726601 587284598 /nfs/dbraw/zinc/28/45/98/587284598.db2.gz OWRZSRPTNDLIBZ-NSHDSACASA-N -1 3 243.709 2.898 20 10 BFCDHM CCC1(CC)CN(C(=O)c2cc([O-])cs2)C1 ZINC000832869998 587694205 /nfs/dbraw/zinc/69/42/05/587694205.db2.gz CHGMNKPIMJMZOX-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM CCC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000835075712 587780375 /nfs/dbraw/zinc/78/03/75/587780375.db2.gz YTRTZOPLIGEMSI-UHFFFAOYSA-N -1 3 225.719 2.887 20 10 BFCDHM CC(C)=CC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846480241 588267225 /nfs/dbraw/zinc/26/72/25/588267225.db2.gz UJAQZFAYVJHRTB-UHFFFAOYSA-N -1 3 239.702 2.628 20 10 BFCDHM O=C(c1cc([O-])cs1)N1CCC12CCCC2 ZINC000846660760 588281587 /nfs/dbraw/zinc/28/15/87/588281587.db2.gz YBNNKQCOWHFJQS-UHFFFAOYSA-N -1 3 237.324 2.612 20 10 BFCDHM CC(C)=CCCOC(=O)c1cc([O-])cs1 ZINC000849728582 588490682 /nfs/dbraw/zinc/49/06/82/588490682.db2.gz VJWZLMSKEXQUCT-UHFFFAOYSA-N -1 3 226.297 2.967 20 10 BFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1C=CCC1 ZINC000850358362 588538823 /nfs/dbraw/zinc/53/88/23/588538823.db2.gz BVKJQNGUFGPZIB-QMMMGPOBSA-N -1 3 241.693 2.993 20 10 BFCDHM C[C@@H]1C[C@@H](C)N1Cc1ccc(F)c(F)c1[O-] ZINC000877486368 590339338 /nfs/dbraw/zinc/33/93/38/590339338.db2.gz IMWNIRKESUWPCY-HTQZYQBOSA-N -1 3 227.254 2.653 20 10 BFCDHM CCC1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877579575 590364432 /nfs/dbraw/zinc/36/44/32/590364432.db2.gz WAQWBXZREFUHIE-UHFFFAOYSA-N -1 3 227.254 2.512 20 10 BFCDHM Cc1ncc(CN2Cc3cccc([O-])c3C2)s1 ZINC000877703700 590397837 /nfs/dbraw/zinc/39/78/37/590397837.db2.gz QCYIDSICNIOSNK-UHFFFAOYSA-N -1 3 246.335 2.673 20 10 BFCDHM CC(C)(F)CNCc1cc(F)cc(F)c1[O-] ZINC000883193063 591568411 /nfs/dbraw/zinc/56/84/11/591568411.db2.gz NODVCKVKENZLAD-UHFFFAOYSA-N -1 3 233.233 2.508 20 10 BFCDHM CCc1nc(CNCc2ccccc2[O-])cs1 ZINC000134235539 591904209 /nfs/dbraw/zinc/90/42/09/591904209.db2.gz OTDGRIAKDZJROR-UHFFFAOYSA-N -1 3 248.351 2.701 20 10 BFCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1cn[nH]c1 ZINC000886556575 592260088 /nfs/dbraw/zinc/26/00/88/592260088.db2.gz FUFHBMFNFJOJHU-RKDXNWHRSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@H](NCC(C)(C)F)c1c([O-])cccc1F ZINC000886645242 592288068 /nfs/dbraw/zinc/28/80/68/592288068.db2.gz UUYBFUWJXRTLEW-QMMMGPOBSA-N -1 3 229.270 2.930 20 10 BFCDHM CCc1cnc(CN[C@H](C)c2ccccc2[O-])o1 ZINC000223661576 592537367 /nfs/dbraw/zinc/53/73/67/592537367.db2.gz HNCUAJAWPQKIQY-SNVBAGLBSA-N -1 3 246.310 2.793 20 10 BFCDHM C[C@H](NCc1cc(Cl)ccc1[O-])C(F)F ZINC000389942058 711099738 /nfs/dbraw/zinc/09/97/38/711099738.db2.gz NNEFIJLZXBBFIK-LURJTMIESA-N -1 3 235.661 2.789 20 10 BFCDHM C[C@@H]1CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122734 979821141 /nfs/dbraw/zinc/82/11/41/979821141.db2.gz XSSMFLUSJPNENH-SSDOTTSWSA-N -1 3 229.682 2.779 20 10 BFCDHM Cc1cccnc1CNCc1c([O-])cccc1F ZINC001207622235 968839725 /nfs/dbraw/zinc/83/97/25/968839725.db2.gz MNBZVYHBZXCCRK-UHFFFAOYSA-N -1 3 246.285 2.525 20 10 BFCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001233335649 978565068 /nfs/dbraw/zinc/56/50/68/978565068.db2.gz FJXFUIVJYAXCLV-KCJUWKMLSA-N -1 3 239.265 2.655 20 10 BFCDHM C[C@@H](CF)NCc1c([O-])ccc(Cl)c1F ZINC000379926133 983953353 /nfs/dbraw/zinc/95/33/53/983953353.db2.gz LLUQNQAAYIGXJL-LURJTMIESA-N -1 3 235.661 2.632 20 10 BFCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@@H]1C ZINC001308789464 991135281 /nfs/dbraw/zinc/13/52/81/991135281.db2.gz BLKWPQXZKRPZGB-HTQZYQBOSA-N -1 3 227.254 2.511 20 10 BFCDHM C[C@@H]1C[C@@H](F)CN1Cc1c([O-])cccc1Cl ZINC001140338028 991610126 /nfs/dbraw/zinc/61/01/26/991610126.db2.gz RRODPOXZLDSLAO-RKDXNWHRSA-N -1 3 243.709 2.978 20 10 BFCDHM CC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126245650 345112349 /nfs/dbraw/zinc/11/23/49/345112349.db2.gz MXSNNBUDVGGKJB-SNVBAGLBSA-N -1 3 249.310 2.503 20 10 BFCDHM [O-]c1cccc2c1[C@@H](NCc1nccs1)CC2 ZINC000296186224 183297078 /nfs/dbraw/zinc/29/70/78/183297078.db2.gz YGVNJBNCPGDYBB-JTQLQIEISA-N -1 3 246.335 2.626 20 10 BFCDHM [O-]c1ccccc1CN(CC(F)F)C1CC1 ZINC000179572874 183302277 /nfs/dbraw/zinc/30/22/77/183302277.db2.gz WQHDTNUEVRGLJJ-UHFFFAOYSA-N -1 3 227.254 2.622 20 10 BFCDHM CCCN(Cc1cocn1)Cc1ccccc1[O-] ZINC000191938204 169180990 /nfs/dbraw/zinc/18/09/90/169180990.db2.gz RFBVSINITIANRU-UHFFFAOYSA-N -1 3 246.310 2.792 20 10 BFCDHM C[C@@H](N[C@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296240927 383987057 /nfs/dbraw/zinc/98/70/57/383987057.db2.gz AVEQREJFZNPVPB-APPZFPTMSA-N -1 3 245.244 2.920 20 10 BFCDHM Cc1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000076728973 384383639 /nfs/dbraw/zinc/38/36/39/384383639.db2.gz ZYJKFKSAUSIBAF-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM C[C@@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000290183524 388881719 /nfs/dbraw/zinc/88/17/19/388881719.db2.gz NWXXKSNIBGGHMM-ZCFIWIBFSA-N -1 3 237.196 2.572 20 10 BFCDHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000126521511 171035730 /nfs/dbraw/zinc/03/57/30/171035730.db2.gz QLYVWPDVADHTJA-NXEZZACHSA-N -1 3 249.310 2.501 20 10 BFCDHM CCn1cc(N[C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000094617104 172188245 /nfs/dbraw/zinc/18/82/45/172188245.db2.gz SMVTVJIKGHORQT-SECBINFHSA-N -1 3 249.289 2.921 20 10 BFCDHM CC[C@@H](C)CCNC(=O)c1cc([O-])cs1 ZINC000855389812 588830605 /nfs/dbraw/zinc/83/06/05/588830605.db2.gz HYDKGDHLDNRYNG-MRVPVSSYSA-N -1 3 227.329 2.620 20 10 BFCDHM COc1ccc(CN2Cc3cccc([O-])c3C2)o1 ZINC000895784627 583727183 /nfs/dbraw/zinc/72/71/83/583727183.db2.gz JVVUUAMELWSADE-UHFFFAOYSA-N -1 3 245.278 2.510 20 10 BFCDHM Cc1ccc([C@@H](C)NCc2ccon2)c([O-])c1 ZINC000148665229 584030937 /nfs/dbraw/zinc/03/09/37/584030937.db2.gz ZLWMPCXNNCLYEF-SNVBAGLBSA-N -1 3 232.283 2.539 20 10 BFCDHM COc1ccccc1NC(=O)c1cc([O-])cs1 ZINC000731867452 584930538 /nfs/dbraw/zinc/93/05/38/584930538.db2.gz KWNPEANXRQGHAH-UHFFFAOYSA-N -1 3 249.291 2.715 20 10 BFCDHM CCC[C@H](CC)NC(=O)c1cc([O-])cs1 ZINC000732278553 584935479 /nfs/dbraw/zinc/93/54/79/584935479.db2.gz PRJFVLCQJJHPOJ-QMMMGPOBSA-N -1 3 227.329 2.762 20 10 BFCDHM O=C(NC[C@@H]1CC=CCC1)c1cc([O-])cs1 ZINC000732278939 584935643 /nfs/dbraw/zinc/93/56/43/584935643.db2.gz IKRWGZYJLVLGIL-SECBINFHSA-N -1 3 237.324 2.540 20 10 BFCDHM CC(C)[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732277077 584935654 /nfs/dbraw/zinc/93/56/54/584935654.db2.gz DLSALCZBSZSLPB-JTQLQIEISA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1ccn(C)n1 ZINC000840815485 585068100 /nfs/dbraw/zinc/06/81/00/585068100.db2.gz FNPSEOVAFFBZJZ-GHMZBOCLSA-N -1 3 245.326 2.538 20 10 BFCDHM CCCCCOC1CN(Cc2ccccc2[O-])C1 ZINC000839134041 585094047 /nfs/dbraw/zinc/09/40/47/585094047.db2.gz FRAOZZPGIHFZOD-UHFFFAOYSA-N -1 3 249.354 2.783 20 10 BFCDHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])cs1 ZINC000743551107 585137886 /nfs/dbraw/zinc/13/78/86/585137886.db2.gz PDXAUACXTKBEHB-DTWKUNHWSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000743821643 585139947 /nfs/dbraw/zinc/13/99/47/585139947.db2.gz SYPKRWKZOKATTR-DTWKUNHWSA-N -1 3 239.340 2.714 20 10 BFCDHM CCC[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000748123799 585187655 /nfs/dbraw/zinc/18/76/55/585187655.db2.gz ZJMJTDXPIULNKF-SSDOTTSWSA-N -1 3 214.286 2.799 20 10 BFCDHM CC(C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000752632950 585248405 /nfs/dbraw/zinc/24/84/05/585248405.db2.gz ZVBUHOWJIFKAQF-QMMMGPOBSA-N -1 3 227.329 2.618 20 10 BFCDHM CC1(C)C(NC(=O)c2cc([O-])cs2)C1(C)C ZINC000752821528 585250630 /nfs/dbraw/zinc/25/06/30/585250630.db2.gz VURFTHKSJUJNRV-UHFFFAOYSA-N -1 3 239.340 2.618 20 10 BFCDHM C[C@@H]1CCCCN(C(=O)c2cc([O-])cs2)C1 ZINC000776259577 585694183 /nfs/dbraw/zinc/69/41/83/585694183.db2.gz OTNGLMRZNLDTJN-SECBINFHSA-N -1 3 239.340 2.716 20 10 BFCDHM CN(Cc1ccc(F)cn1)Cc1ccccc1[O-] ZINC000787263148 585903793 /nfs/dbraw/zinc/90/37/93/585903793.db2.gz CXFYHSRNRDATEN-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM O=C(OCCCCCF)c1cc([O-])cs1 ZINC000791886927 585990084 /nfs/dbraw/zinc/99/00/84/585990084.db2.gz VSFITEDDNPPSEF-UHFFFAOYSA-N -1 3 232.276 2.750 20 10 BFCDHM Cc1cc([O-])c(CN2CC[C@@H](F)C2)cc1Cl ZINC000826036771 587349035 /nfs/dbraw/zinc/34/90/35/587349035.db2.gz OMDWPFPHVKBLFZ-SNVBAGLBSA-N -1 3 243.709 2.898 20 10 BFCDHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000829433141 587496915 /nfs/dbraw/zinc/49/69/15/587496915.db2.gz SLTPEZWWNLNBTR-IUCAKERBSA-N -1 3 239.340 2.714 20 10 BFCDHM Cc1cc([O-])c(CN2CC3(CC3)C2)c(Cl)c1 ZINC000840950456 587931853 /nfs/dbraw/zinc/93/18/53/587931853.db2.gz INFHYNFJKMMKEE-UHFFFAOYSA-N -1 3 237.730 2.950 20 10 BFCDHM C[C@H]1[C@@H](C)N(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000842273518 588009445 /nfs/dbraw/zinc/00/94/45/588009445.db2.gz IOVLSMPUYVDDEL-IWSPIJDZSA-N -1 3 239.340 2.570 20 10 BFCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)[C@H]1C ZINC000842273519 588009669 /nfs/dbraw/zinc/00/96/69/588009669.db2.gz IOVLSMPUYVDDEL-VGMNWLOBSA-N -1 3 239.340 2.570 20 10 BFCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000846665129 588281731 /nfs/dbraw/zinc/28/17/31/588281731.db2.gz RWJPJGPRPNRKKX-SSDOTTSWSA-N -1 3 227.329 2.618 20 10 BFCDHM CC(C)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000849727211 588490313 /nfs/dbraw/zinc/49/03/13/588490313.db2.gz BZSYDHOLWBIWIO-SSDOTTSWSA-N -1 3 214.286 2.655 20 10 BFCDHM Cc1ccc(CN(C)Cc2nccs2)c([O-])c1 ZINC000876757541 590239224 /nfs/dbraw/zinc/23/92/24/590239224.db2.gz CPBYGAYPLXIEIQ-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM Cc1nc(CNCc2c(C)cccc2[O-])cs1 ZINC000876913582 590256429 /nfs/dbraw/zinc/25/64/29/590256429.db2.gz JCLFDIRUPXZVDN-UHFFFAOYSA-N -1 3 248.351 2.755 20 10 BFCDHM Cc1ccc(CN2CCC(F)(F)C2)c([O-])c1 ZINC000877140798 590291565 /nfs/dbraw/zinc/29/15/65/590291565.db2.gz LMJBRGDSHBTCGE-UHFFFAOYSA-N -1 3 227.254 2.542 20 10 BFCDHM Cc1cccc([O-])c1CN1CCC=C(F)C1 ZINC000877175106 590296647 /nfs/dbraw/zinc/29/66/47/590296647.db2.gz YYAFYJXILQUICI-UHFFFAOYSA-N -1 3 221.275 2.760 20 10 BFCDHM Cc1ccc(CN[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000877534181 590349932 /nfs/dbraw/zinc/34/99/32/590349932.db2.gz AMHHIUNQQMDSEI-QMMMGPOBSA-N -1 3 233.233 2.741 20 10 BFCDHM Cc1nc(CN[C@H](C)c2ccccc2[O-])[nH]c1C ZINC000877755983 590417795 /nfs/dbraw/zinc/41/77/95/590417795.db2.gz WKFACQUZLPZXLM-LLVKDONJSA-N -1 3 245.326 2.583 20 10 BFCDHM CCN(Cc1ccccc1[O-])CC(F)(F)F ZINC000132673002 591727897 /nfs/dbraw/zinc/72/78/97/591727897.db2.gz VDCDSJYPWUCCPE-UHFFFAOYSA-N -1 3 233.233 2.776 20 10 BFCDHM Cc1nc(CNCc2ccccc2[O-])sc1C ZINC000135381536 592010925 /nfs/dbraw/zinc/01/09/25/592010925.db2.gz FYVJMRRUNWVUBN-UHFFFAOYSA-N -1 3 248.351 2.755 20 10 BFCDHM [O-]c1c(Cl)cccc1CNCc1ccccn1 ZINC000161607657 632104231 /nfs/dbraw/zinc/10/42/31/632104231.db2.gz MRBAJCWFQAHQPE-UHFFFAOYSA-N -1 3 248.713 2.730 20 10 BFCDHM CN(Cc1cc(Cl)ccc1[O-])CC(F)F ZINC000092508995 644660910 /nfs/dbraw/zinc/66/09/10/644660910.db2.gz SEIAYAQEUARFTA-UHFFFAOYSA-N -1 3 235.661 2.743 20 10 BFCDHM C[C@@H](N[C@@H](C)C(F)F)c1cc(F)ccc1[O-] ZINC000389967805 712692712 /nfs/dbraw/zinc/69/27/12/712692712.db2.gz OZOXKCGZAXSJDU-RQJHMYQMSA-N -1 3 233.233 2.836 20 10 BFCDHM CCC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000394620894 711195704 /nfs/dbraw/zinc/19/57/04/711195704.db2.gz GDUWHLPJOXCDFX-UHFFFAOYSA-N -1 3 249.310 2.550 20 10 BFCDHM [O-]c1c(CN2CCC(F)CC2)ccc(F)c1F ZINC000703610347 712081175 /nfs/dbraw/zinc/08/11/75/712081175.db2.gz MVGBDMLJHLBDLI-UHFFFAOYSA-N -1 3 245.244 2.604 20 10 BFCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001142531300 961481110 /nfs/dbraw/zinc/48/11/10/961481110.db2.gz SRSPYQXRNRBJAD-PELKAZGASA-N -1 3 239.265 2.655 20 10 BFCDHM CCC(F)(F)CNCc1cc(F)ccc1[O-] ZINC000697627273 964355420 /nfs/dbraw/zinc/35/54/20/964355420.db2.gz MFEIOMXBBJZENR-UHFFFAOYSA-N -1 3 233.233 2.666 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CCCCO1 ZINC001203651786 966722500 /nfs/dbraw/zinc/72/25/00/966722500.db2.gz VFONIDWEQHWDQO-UHFFFAOYSA-N -1 3 227.691 2.573 20 10 BFCDHM Nc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213384415 970303870 /nfs/dbraw/zinc/30/38/70/970303870.db2.gz LKTIHEWHASEFSU-UHFFFAOYSA-N -1 3 236.221 2.996 20 10 BFCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]2C[C@H]21 ZINC001233335648 978568058 /nfs/dbraw/zinc/56/80/58/978568058.db2.gz FJXFUIVJYAXCLV-GZMMTYOYSA-N -1 3 239.265 2.655 20 10 BFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(F)C1 ZINC001233451640 978607549 /nfs/dbraw/zinc/60/75/49/978607549.db2.gz STPDADMHPRXZCE-UHFFFAOYSA-N -1 3 249.207 2.565 20 10 BFCDHM C[C@@H]([NH2+]C1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604328770 979615679 /nfs/dbraw/zinc/61/56/79/979615679.db2.gz FZSOGEUHDBZNIL-SECBINFHSA-N -1 3 249.310 2.684 20 10 BFCDHM C[C@H]1CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122735 979821495 /nfs/dbraw/zinc/82/14/95/979821495.db2.gz XSSMFLUSJPNENH-ZETCQYMHSA-N -1 3 229.682 2.779 20 10 BFCDHM C[C@]1(F)CCCN(Cc2c([O-])cccc2F)C1 ZINC001137833110 990857377 /nfs/dbraw/zinc/85/73/77/990857377.db2.gz SZJSUMZGEPCNAB-ZDUSSCGKSA-N -1 3 241.281 2.855 20 10 BFCDHM CC(C)=CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001590924881 990923201 /nfs/dbraw/zinc/92/32/01/990923201.db2.gz OSXSUNHAQJEAGC-SNVBAGLBSA-N -1 3 249.310 2.707 20 10 BFCDHM CN(Cc1ccc(Cl)cc1[O-])CC(F)F ZINC001140468676 991647187 /nfs/dbraw/zinc/64/71/87/991647187.db2.gz UBOWUBOLSFNBHI-UHFFFAOYSA-N -1 3 235.661 2.743 20 10 BFCDHM C[C@@H](NCc1ccc(Cl)cc1[O-])C(F)F ZINC001560983221 991676396 /nfs/dbraw/zinc/67/63/96/991676396.db2.gz SIQZEGNNYZWQLF-ZCFIWIBFSA-N -1 3 235.661 2.789 20 10 BFCDHM C[C@H](NCc1ccc(Cl)cc1[O-])C(F)F ZINC001560983220 991677323 /nfs/dbraw/zinc/67/73/23/991677323.db2.gz SIQZEGNNYZWQLF-LURJTMIESA-N -1 3 235.661 2.789 20 10 BFCDHM C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354362 994990415 /nfs/dbraw/zinc/99/04/15/994990415.db2.gz OEKZKRIQDBHOLR-UFBFGSQYSA-N -1 3 249.310 2.540 20 10 BFCDHM Cc1ncc(CN(C)Cc2ccccc2[O-])s1 ZINC000109773804 180140291 /nfs/dbraw/zinc/14/02/91/180140291.db2.gz UXGNUYXQONIFDU-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM [O-]c1cccc(Cl)c1CNCC(F)(F)F ZINC000127224657 183292368 /nfs/dbraw/zinc/29/23/68/183292368.db2.gz ORIHHFXTIVQPSM-UHFFFAOYSA-N -1 3 239.624 2.698 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CCSCC1 ZINC000126208177 183293208 /nfs/dbraw/zinc/29/32/08/183293208.db2.gz HNMGYNDGXLIHAL-UHFFFAOYSA-N -1 3 243.759 2.594 20 10 BFCDHM [O-]c1ccccc1CN[C@@H](C1CC1)C(F)(F)F ZINC000288494867 183303855 /nfs/dbraw/zinc/30/38/55/183303855.db2.gz RHVBKSVUECBYOV-NSHDSACASA-N -1 3 245.244 2.823 20 10 BFCDHM CCOCCN(C)Cc1c([O-])cccc1Cl ZINC000132762784 170390018 /nfs/dbraw/zinc/39/00/18/170390018.db2.gz BWFMZBAZSJLSQR-UHFFFAOYSA-N -1 3 243.734 2.514 20 10 BFCDHM CC[C@H](C)N(CC)C(=O)c1cc([O-])cs1 ZINC000855145163 588823995 /nfs/dbraw/zinc/82/39/95/588823995.db2.gz JVMJGBVFJMTJPI-QMMMGPOBSA-N -1 3 227.329 2.714 20 10 BFCDHM CC(C)[C@@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000856125092 588861472 /nfs/dbraw/zinc/86/14/72/588861472.db2.gz ZVZBYUBQBSJIGW-LLVKDONJSA-N -1 3 239.340 2.618 20 10 BFCDHM C[C@@H]1[C@@H](C)CN1Cc1ccc(F)c(F)c1[O-] ZINC000894861665 583535480 /nfs/dbraw/zinc/53/54/80/583535480.db2.gz LPLPJDNQLLDPQG-JGVFFNPUSA-N -1 3 227.254 2.511 20 10 BFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H]1C1CC1 ZINC000894880063 583543418 /nfs/dbraw/zinc/54/34/18/583543418.db2.gz BUVMDZCKPSJJFM-GFCCVEGCSA-N -1 3 239.265 2.655 20 10 BFCDHM CCC1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894969710 583560387 /nfs/dbraw/zinc/56/03/87/583560387.db2.gz PZGSBKOKJSVFSY-UHFFFAOYSA-N -1 3 227.254 2.512 20 10 BFCDHM C[C@H](NCC(F)(F)F)c1ccccc1[O-] ZINC000019436057 583605350 /nfs/dbraw/zinc/60/53/50/583605350.db2.gz HNSYHADYUTZYIK-ZETCQYMHSA-N -1 3 219.206 2.605 20 10 BFCDHM CCc1ccc(CNCc2c([O-])cccc2F)o1 ZINC000896641438 583820447 /nfs/dbraw/zinc/82/04/47/583820447.db2.gz RLECGRXRZSLFKC-UHFFFAOYSA-N -1 3 249.285 2.977 20 10 BFCDHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000731865723 584930005 /nfs/dbraw/zinc/93/00/05/584930005.db2.gz DXZGPWFQTLHNNQ-RKDXNWHRSA-N -1 3 239.340 2.572 20 10 BFCDHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000731867191 584930663 /nfs/dbraw/zinc/93/06/63/584930663.db2.gz YZYHNGYDWZBNBP-WPRPVWTQSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732268620 584935035 /nfs/dbraw/zinc/93/50/35/584935035.db2.gz KWWYDQBJCZINLO-IUCAKERBSA-N -1 3 239.340 2.762 20 10 BFCDHM CC(C)[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000732268690 584935080 /nfs/dbraw/zinc/93/50/80/584935080.db2.gz AAJLJEKCLFVREP-QMMMGPOBSA-N -1 3 227.329 2.570 20 10 BFCDHM Cc1ccc(O)c(NC(=O)c2cc([O-])cs2)c1 ZINC000732276597 584935681 /nfs/dbraw/zinc/93/56/81/584935681.db2.gz MDTHBRQOKYCTAL-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM C[C@H](NC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000733809203 584953388 /nfs/dbraw/zinc/95/33/88/584953388.db2.gz BNUQRPPFZIXTPE-QMMMGPOBSA-N -1 3 239.340 2.762 20 10 BFCDHM CC(C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000752632937 585248506 /nfs/dbraw/zinc/24/85/06/585248506.db2.gz ZVBUHOWJIFKAQF-MRVPVSSYSA-N -1 3 227.329 2.618 20 10 BFCDHM CC[C@H](C)COC(=O)c1cc([O-])cs1 ZINC000756411207 585319493 /nfs/dbraw/zinc/31/94/93/585319493.db2.gz PTLKHMUKVXLQAX-ZETCQYMHSA-N -1 3 214.286 2.657 20 10 BFCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1ccncc1 ZINC000757711574 585344728 /nfs/dbraw/zinc/34/47/28/585344728.db2.gz SELFDLRTVZQYAL-QMMMGPOBSA-N -1 3 249.291 2.767 20 10 BFCDHM CC1(C)CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000768884638 585545408 /nfs/dbraw/zinc/54/54/08/585545408.db2.gz KVBAFAJXGNKIKI-MRVPVSSYSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@H](CCC1CC1)NC(=O)c1cc([O-])cs1 ZINC000769656984 585561167 /nfs/dbraw/zinc/56/11/67/585561167.db2.gz MWCRYXZXPBNLEM-MRVPVSSYSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@@H]1CCN(Cc2cc(F)ccc2[O-])C[C@H]1F ZINC000779151249 585745930 /nfs/dbraw/zinc/74/59/30/585745930.db2.gz WCOKPFWKJOUDKG-BXKDBHETSA-N -1 3 241.281 2.711 20 10 BFCDHM CCN(CC1CCC1)C(=O)c1cc([O-])cs1 ZINC000796106877 586097539 /nfs/dbraw/zinc/09/75/39/586097539.db2.gz NDHORZJFHIOXDW-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM C[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000799188871 586165670 /nfs/dbraw/zinc/16/56/70/586165670.db2.gz WTROYKDEMKSSTA-BDAKNGLRSA-N -1 3 239.340 2.620 20 10 BFCDHM CC1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000802651621 586308090 /nfs/dbraw/zinc/30/80/90/586308090.db2.gz UEBIVSKCLCPUJT-UHFFFAOYSA-N -1 3 229.682 2.636 20 10 BFCDHM Cc1cc([O-])c(CNCC(F)F)cc1Cl ZINC000825893092 587344236 /nfs/dbraw/zinc/34/42/36/587344236.db2.gz OMPLSZAGAKJAGM-UHFFFAOYSA-N -1 3 235.661 2.709 20 10 BFCDHM Cc1cc([O-])c(CNCC(F)F)c(Cl)c1 ZINC000840947380 587931305 /nfs/dbraw/zinc/93/13/05/587931305.db2.gz QAVLOEMNWFJXAY-UHFFFAOYSA-N -1 3 235.661 2.709 20 10 BFCDHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000842273516 588011258 /nfs/dbraw/zinc/01/12/58/588011258.db2.gz IOVLSMPUYVDDEL-HRDYMLBCSA-N -1 3 239.340 2.570 20 10 BFCDHM CC(C)C(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846659049 588281472 /nfs/dbraw/zinc/28/14/72/588281472.db2.gz NDPLPBKLHXJUSR-UHFFFAOYSA-N -1 3 227.329 2.618 20 10 BFCDHM O=C(N[C@H]1CCCC12CC2)c1cc([O-])cs1 ZINC000869749703 589626909 /nfs/dbraw/zinc/62/69/09/589626909.db2.gz CDILQNQPGGTGPV-JTQLQIEISA-N -1 3 237.324 2.516 20 10 BFCDHM C[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126430944 590302122 /nfs/dbraw/zinc/30/21/22/590302122.db2.gz LXSYNDPEHONAPI-SNVBAGLBSA-N -1 3 249.310 2.503 20 10 BFCDHM Cc1ccc(CNC2(C(F)F)CC2)c([O-])c1 ZINC000877501111 590342123 /nfs/dbraw/zinc/34/21/23/590342123.db2.gz IDLIKAYKNLMRRK-UHFFFAOYSA-N -1 3 227.254 2.588 20 10 BFCDHM Cc1cnc(CN2Cc3cccc([O-])c3C2)s1 ZINC000877702575 590395431 /nfs/dbraw/zinc/39/54/31/590395431.db2.gz BZVARBCYTQSQCU-UHFFFAOYSA-N -1 3 246.335 2.673 20 10 BFCDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC000877717560 590399519 /nfs/dbraw/zinc/39/95/19/590399519.db2.gz LBMVHEGEAINGFR-UHFFFAOYSA-N -1 3 225.719 2.887 20 10 BFCDHM CCOc1ccc(CN[C@@H](C)C(F)F)c([O-])c1 ZINC000883406996 591649764 /nfs/dbraw/zinc/64/97/64/591649764.db2.gz HYQTZDPLWMHXEN-QMMMGPOBSA-N -1 3 245.269 2.534 20 10 BFCDHM Cc1cnc(CN[C@@H](C)c2ccccc2[O-])o1 ZINC000223660957 592537383 /nfs/dbraw/zinc/53/73/83/592537383.db2.gz AONGEFRKYGJCER-JTQLQIEISA-N -1 3 232.283 2.539 20 10 BFCDHM [O-]c1ccc(F)cc1CN[C@@H]1CCCC1(F)F ZINC000398145478 711403581 /nfs/dbraw/zinc/40/35/81/711403581.db2.gz XJXYMCPBCBRILD-LLVKDONJSA-N -1 3 245.244 2.809 20 10 BFCDHM [O-]c1ccc(F)c(F)c1CN1CCCCC1 ZINC001233331681 978563865 /nfs/dbraw/zinc/56/38/65/978563865.db2.gz GPHALRMMKZIPJE-UHFFFAOYSA-N -1 3 227.254 2.656 20 10 BFCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@H]2C[C@H]21 ZINC001140585365 960444208 /nfs/dbraw/zinc/44/42/08/960444208.db2.gz GXQHLDSENDJRPI-QPUJVOFHSA-N -1 3 239.265 2.655 20 10 BFCDHM Cc1nocc1NCc1c([O-])cccc1Cl ZINC001203522577 966676006 /nfs/dbraw/zinc/67/60/06/966676006.db2.gz UHWITPOALVASOI-UHFFFAOYSA-N -1 3 238.674 2.954 20 10 BFCDHM COc1ccc(CN2CC(C)C2)c([O-])c1Cl ZINC001236803685 979738865 /nfs/dbraw/zinc/73/88/65/979738865.db2.gz WCKIDKACDSPHNX-UHFFFAOYSA-N -1 3 241.718 2.506 20 10 BFCDHM [O-]c1cc2ccccc2cc1CN1CC(F)(F)C1 ZINC001236826035 979746781 /nfs/dbraw/zinc/74/67/81/979746781.db2.gz FKANFZUNWYKJGE-UHFFFAOYSA-N -1 3 249.260 2.996 20 10 BFCDHM Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201221594 983158454 /nfs/dbraw/zinc/15/84/54/983158454.db2.gz BMHOZXWNHAHJAQ-UHFFFAOYSA-N -1 3 245.238 2.626 20 10 BFCDHM CNc1ccc(NCc2cccc(F)c2[O-])cn1 ZINC001578760987 985328683 /nfs/dbraw/zinc/32/86/83/985328683.db2.gz ZDOIHIHHTTWILD-UHFFFAOYSA-N -1 3 247.273 2.580 20 10 BFCDHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000097814076 986079964 /nfs/dbraw/zinc/07/99/64/986079964.db2.gz JINBFOLGDMIDTF-AOOOYVTPSA-N -1 3 249.310 2.501 20 10 BFCDHM CC1(F)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337743 991610740 /nfs/dbraw/zinc/61/07/40/991610740.db2.gz CBRCTDBNBACYQE-UHFFFAOYSA-N -1 3 229.682 2.589 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CCC[C@H]1CF ZINC000294103414 183292778 /nfs/dbraw/zinc/29/27/78/183292778.db2.gz SHCPVQBQHHSUOH-VIFPVBQESA-N -1 3 243.709 2.980 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H]1CF ZINC000294103410 183293301 /nfs/dbraw/zinc/29/33/01/183293301.db2.gz SHCPVQBQHHSUOH-SECBINFHSA-N -1 3 243.709 2.980 20 10 BFCDHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000126521353 384803758 /nfs/dbraw/zinc/80/37/58/384803758.db2.gz QLYVWPDVADHTJA-UWVGGRQHSA-N -1 3 249.310 2.501 20 10 BFCDHM CCC1(C)CN(Cc2cccc(F)c2[O-])C1 ZINC000297308025 386241273 /nfs/dbraw/zinc/24/12/73/386241273.db2.gz CBRZMILFEMHWIZ-UHFFFAOYSA-N -1 3 223.291 2.763 20 10 BFCDHM CC[C@@H](NCCF)c1ccc(F)cc1[O-] ZINC000287271025 387400133 /nfs/dbraw/zinc/40/01/33/387400133.db2.gz CLAPFKDZDZXTHA-SNVBAGLBSA-N -1 3 215.243 2.542 20 10 BFCDHM CCOCCN(C)Cc1cccc(Cl)c1[O-] ZINC000165418858 170390347 /nfs/dbraw/zinc/39/03/47/170390347.db2.gz AQVOEOCOQOYPPY-UHFFFAOYSA-N -1 3 243.734 2.514 20 10 BFCDHM CCn1cc(N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062745856 172186783 /nfs/dbraw/zinc/18/67/83/172186783.db2.gz LCWUIKMOIXFLIV-VIFPVBQESA-N -1 3 249.289 2.921 20 10 BFCDHM CC[C@@](C)(NC(=O)c1cc([O-])cs1)C1CC1 ZINC000855878082 588852532 /nfs/dbraw/zinc/85/25/32/588852532.db2.gz WMGUETSLEAKARW-GFCCVEGCSA-N -1 3 239.340 2.762 20 10 BFCDHM [O-]c1c(CN2CC[C@H]3C[C@H]3C2)ccc(F)c1F ZINC000877635552 583340581 /nfs/dbraw/zinc/34/05/81/583340581.db2.gz WEJWIPYRRIOGLS-WPRPVWTQSA-N -1 3 239.265 2.512 20 10 BFCDHM CC(C)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894597970 583493726 /nfs/dbraw/zinc/49/37/26/583493726.db2.gz URPIMRYZDKSVEF-UHFFFAOYSA-N -1 3 241.281 2.758 20 10 BFCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894862460 583537063 /nfs/dbraw/zinc/53/70/63/583537063.db2.gz YUIKOGASBYUDDJ-YUMQZZPRSA-N -1 3 227.254 2.511 20 10 BFCDHM C[C@@H](NCC(F)(F)F)c1ccccc1[O-] ZINC000019436055 583605332 /nfs/dbraw/zinc/60/53/32/583605332.db2.gz HNSYHADYUTZYIK-SSDOTTSWSA-N -1 3 219.206 2.605 20 10 BFCDHM C/C=C/CNCc1c([O-])ccc(Cl)c1F ZINC000858291028 588942274 /nfs/dbraw/zinc/94/22/74/588942274.db2.gz MDAJFCKTDFEJJY-NSCUHMNNSA-N -1 3 229.682 2.850 20 10 BFCDHM Cc1nc(C)c(CN(C)Cc2ccccc2[O-])o1 ZINC000788021075 583933823 /nfs/dbraw/zinc/93/38/23/583933823.db2.gz XLCHCSAGBOZENC-UHFFFAOYSA-N -1 3 246.310 2.629 20 10 BFCDHM O=C(NC1CCCCCC1)c1cc([O-])cs1 ZINC000731861631 584929681 /nfs/dbraw/zinc/92/96/81/584929681.db2.gz ICOFQQYNSNSHNS-UHFFFAOYSA-N -1 3 239.340 2.906 20 10 BFCDHM O=C(NC1CCCCC1)c1cc([O-])cs1 ZINC000731864480 584929755 /nfs/dbraw/zinc/92/97/55/584929755.db2.gz XMINBBBIVQUQQK-UHFFFAOYSA-N -1 3 225.313 2.516 20 10 BFCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731861982 584929870 /nfs/dbraw/zinc/92/98/70/584929870.db2.gz VQAMTGJAXUZDNM-SECBINFHSA-N -1 3 247.319 2.945 20 10 BFCDHM C[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000731867190 584930548 /nfs/dbraw/zinc/93/05/48/584930548.db2.gz YZYHNGYDWZBNBP-WCBMZHEXSA-N -1 3 239.340 2.762 20 10 BFCDHM CCC[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000731869360 584930932 /nfs/dbraw/zinc/93/09/32/584930932.db2.gz FUQYBOZBUXEQAJ-MRVPVSSYSA-N -1 3 227.329 2.714 20 10 BFCDHM CCCN(CC(C)C)C(=O)c1cc([O-])cs1 ZINC000732268088 584934892 /nfs/dbraw/zinc/93/48/92/584934892.db2.gz ARAOXGJEYGJIHE-UHFFFAOYSA-N -1 3 241.356 2.962 20 10 BFCDHM CC(C)[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000732268687 584935091 /nfs/dbraw/zinc/93/50/91/584935091.db2.gz AAJLJEKCLFVREP-MRVPVSSYSA-N -1 3 227.329 2.570 20 10 BFCDHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732268617 584935150 /nfs/dbraw/zinc/93/51/50/584935150.db2.gz KWWYDQBJCZINLO-BDAKNGLRSA-N -1 3 239.340 2.762 20 10 BFCDHM O=C(O[C@@H]1C=CCCC1)c1cc([O-])cs1 ZINC000733496025 584949997 /nfs/dbraw/zinc/94/99/97/584949997.db2.gz FALOCUQQHADDCO-SECBINFHSA-N -1 3 224.281 2.719 20 10 BFCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1cccnc1 ZINC000733495954 584950065 /nfs/dbraw/zinc/95/00/65/584950065.db2.gz BLKDFRCYMLVECO-MRVPVSSYSA-N -1 3 249.291 2.767 20 10 BFCDHM CC[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000757434078 585336517 /nfs/dbraw/zinc/33/65/17/585336517.db2.gz AZAOCDDOWVCVAR-WCBMZHEXSA-N -1 3 239.340 2.762 20 10 BFCDHM CC[C@]1(C)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000759099614 585364073 /nfs/dbraw/zinc/36/40/73/585364073.db2.gz QJZVWSUWHYEXMB-GFCCVEGCSA-N -1 3 239.340 2.716 20 10 BFCDHM CN(C(=O)c1cc([O-])cs1)C1CC(C)(C)C1 ZINC000839798992 585497466 /nfs/dbraw/zinc/49/74/66/585497466.db2.gz NHGGJDMSTUACIO-UHFFFAOYSA-N -1 3 239.340 2.714 20 10 BFCDHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cs1 ZINC000772932059 585627666 /nfs/dbraw/zinc/62/76/66/585627666.db2.gz KRPGYDPFFGKSSG-BDAKNGLRSA-N -1 3 239.340 2.857 20 10 BFCDHM C[C@H]1CCN(Cc2cc(F)ccc2[O-])C[C@@H]1F ZINC000779151251 585745815 /nfs/dbraw/zinc/74/58/15/585745815.db2.gz WCOKPFWKJOUDKG-CABZTGNLSA-N -1 3 241.281 2.711 20 10 BFCDHM CC[C@@H](NCc1cocn1)c1ccc(C)cc1[O-] ZINC000794816206 586049539 /nfs/dbraw/zinc/04/95/39/586049539.db2.gz YBILSJZAVRJJIQ-CYBMUJFWSA-N -1 3 246.310 2.930 20 10 BFCDHM CC1=C(C)CN(C(=O)c2cc([O-])cs2)CC1 ZINC000796464997 586104467 /nfs/dbraw/zinc/10/44/67/586104467.db2.gz VLQKWUKQMKYLHO-UHFFFAOYSA-N -1 3 237.324 2.636 20 10 BFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000816647073 586748564 /nfs/dbraw/zinc/74/85/64/586748564.db2.gz NDMKCHJIBPVLNC-RKDXNWHRSA-N -1 3 225.719 2.886 20 10 BFCDHM O=C(NC1CC2(CCC2)C1)c1cc([O-])cs1 ZINC000846664756 588281828 /nfs/dbraw/zinc/28/18/28/588281828.db2.gz NCCWIALKQGJYGN-UHFFFAOYSA-N -1 3 237.324 2.516 20 10 BFCDHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1nccn1C ZINC000850572176 588561267 /nfs/dbraw/zinc/56/12/67/588561267.db2.gz HKRDMJYTCCZKSR-QWRGUYRKSA-N -1 3 245.326 2.538 20 10 BFCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000862443647 589214181 /nfs/dbraw/zinc/21/41/81/589214181.db2.gz RPYVOVJIFAHYOD-OCAPTIKFSA-N -1 3 241.693 2.636 20 10 BFCDHM C[C@@H](CC1CCC1)NC(=O)c1cc([O-])cs1 ZINC000871090386 589719420 /nfs/dbraw/zinc/71/94/20/589719420.db2.gz AKKZPBQNJLNQFD-QMMMGPOBSA-N -1 3 239.340 2.762 20 10 BFCDHM Cc1cccc([O-])c1CN(C)Cc1cscn1 ZINC000876641066 590224838 /nfs/dbraw/zinc/22/48/38/590224838.db2.gz DXDIEOLLDYCJRL-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000126219659 590254475 /nfs/dbraw/zinc/25/44/75/590254475.db2.gz RJMGKKVHZMPRNJ-UHFFFAOYSA-N -1 3 249.310 2.503 20 10 BFCDHM CC(C)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877486583 590338879 /nfs/dbraw/zinc/33/88/79/590338879.db2.gz LEALHHLQABVFMH-UHFFFAOYSA-N -1 3 241.281 2.758 20 10 BFCDHM Cc1cc([O-])c(CNC2CSC2)c(Cl)c1 ZINC000877634558 590380191 /nfs/dbraw/zinc/38/01/91/590380191.db2.gz RVHWKCYBPYDGAZ-UHFFFAOYSA-N -1 3 243.759 2.559 20 10 BFCDHM Cc1cnccc1CN1Cc2cccc([O-])c2C1 ZINC000877703248 590396866 /nfs/dbraw/zinc/39/68/66/590396866.db2.gz YEHUBTALHDHSGF-UHFFFAOYSA-N -1 3 240.306 2.611 20 10 BFCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000877718072 590400078 /nfs/dbraw/zinc/40/00/78/590400078.db2.gz WLXBGAGPRNNWTM-UHFFFAOYSA-N -1 3 225.719 2.887 20 10 BFCDHM CC1(C)C[C@]1(C)CNC(=O)c1cc([O-])cs1 ZINC000881540525 591233878 /nfs/dbraw/zinc/23/38/78/591233878.db2.gz JUYOKPCHILDFJI-GFCCVEGCSA-N -1 3 239.340 2.620 20 10 BFCDHM [O-]c1cccc(Cl)c1CNc1nncs1 ZINC000134422791 591926324 /nfs/dbraw/zinc/92/63/24/591926324.db2.gz NIYBPPOTUGLJLX-UHFFFAOYSA-N -1 3 241.703 2.509 20 10 BFCDHM CCc1cnc(CN[C@@H](C)c2ccccc2[O-])o1 ZINC000223661517 592537401 /nfs/dbraw/zinc/53/74/01/592537401.db2.gz HNCUAJAWPQKIQY-JTQLQIEISA-N -1 3 246.310 2.793 20 10 BFCDHM CC(C)n1cc(NCc2cccc(F)c2[O-])cn1 ZINC000158762154 632484786 /nfs/dbraw/zinc/48/47/86/632484786.db2.gz HTHUNGKLPZGKHD-UHFFFAOYSA-N -1 3 249.289 2.921 20 10 BFCDHM Cc1c(N[C@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000186368778 643687057 /nfs/dbraw/zinc/68/70/57/643687057.db2.gz JURHRWSZMUOGED-MRVPVSSYSA-N -1 3 249.289 2.746 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CCC(F)(F)C1 ZINC000313325471 711718046 /nfs/dbraw/zinc/71/80/46/711718046.db2.gz TYOREKFSIWBJHT-UHFFFAOYSA-N -1 3 247.672 2.887 20 10 BFCDHM CN(C(=O)c1cccc(O)c1[O-])C1(C)CCCC1 ZINC000720385463 712838071 /nfs/dbraw/zinc/83/80/71/712838071.db2.gz BUWGOKSXJNIGPW-UHFFFAOYSA-N -1 3 249.310 2.503 20 10 BFCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC001237802048 980048974 /nfs/dbraw/zinc/04/89/74/980048974.db2.gz XFMXPCCFVPHXMZ-OCAPTIKFSA-N -1 3 241.693 2.636 20 10 BFCDHM Cc1cc([O-])c(CN2CCCCO2)cc1Cl ZINC001231868456 977773594 /nfs/dbraw/zinc/77/35/94/977773594.db2.gz HFJBGOMYWRXLMF-UHFFFAOYSA-N -1 3 241.718 2.881 20 10 BFCDHM Cc1cc([O-])c(CN2CC(F)(F)C2)cc1Cl ZINC001231868954 977776135 /nfs/dbraw/zinc/77/61/35/977776135.db2.gz ITBGTYGQCYWCGL-UHFFFAOYSA-N -1 3 247.672 2.805 20 10 BFCDHM [O-]c1ccc(F)c(F)c1CN1CCC(F)CC1 ZINC001233331688 978562808 /nfs/dbraw/zinc/56/28/08/978562808.db2.gz GXXKCPUDSOJSMH-UHFFFAOYSA-N -1 3 245.244 2.604 20 10 BFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC1 ZINC001236794504 979738200 /nfs/dbraw/zinc/73/82/00/979738200.db2.gz SGGQTNAMCQFZKH-UHFFFAOYSA-N -1 3 232.110 2.905 20 10 BFCDHM CCC1([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001595390237 980946145 /nfs/dbraw/zinc/94/61/45/980946145.db2.gz AACOXIVEXJQNFZ-SECBINFHSA-N -1 3 249.310 2.684 20 10 BFCDHM [O-]c1cccc(F)c1CNc1nccs1 ZINC001458615096 985334507 /nfs/dbraw/zinc/33/45/07/985334507.db2.gz CBZXPVCALKYZNR-UHFFFAOYSA-N -1 3 224.260 2.600 20 10 BFCDHM [O-]c1c(F)ccc(F)c1CN1CCCCC1 ZINC001139679686 991310311 /nfs/dbraw/zinc/31/03/11/991310311.db2.gz UDJJJCDLUSICFF-UHFFFAOYSA-N -1 3 227.254 2.656 20 10 BFCDHM CN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000153777941 385282538 /nfs/dbraw/zinc/28/25/38/385282538.db2.gz GMOTYOVBGJFXCL-UHFFFAOYSA-N -1 3 211.692 2.640 20 10 BFCDHM C[C@@]1(F)CCCN(Cc2cccc(F)c2[O-])C1 ZINC000295934464 386109507 /nfs/dbraw/zinc/10/95/07/386109507.db2.gz FXFLEGPOBFGTOA-CYBMUJFWSA-N -1 3 241.281 2.855 20 10 BFCDHM Cc1csc(CN(C)Cc2ccccc2[O-])n1 ZINC000268678606 386678311 /nfs/dbraw/zinc/67/83/11/386678311.db2.gz NMHHVNOZZJEHAY-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM C[C@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000290183517 388881513 /nfs/dbraw/zinc/88/15/13/388881513.db2.gz NWXXKSNIBGGHMM-LURJTMIESA-N -1 3 237.196 2.572 20 10 BFCDHM C[C@H]1c2cccn2CCN1Cc1ccccc1[O-] ZINC000179882116 134324845 /nfs/dbraw/zinc/32/48/45/134324845.db2.gz NGRBPYGRLQTCEF-LBPRGKRZSA-N -1 3 242.322 2.771 20 10 BFCDHM C/C=C\CNCc1c([O-])ccc(Cl)c1F ZINC000858291027 588942429 /nfs/dbraw/zinc/94/24/29/588942429.db2.gz MDAJFCKTDFEJJY-IHWYPQMZSA-N -1 3 229.682 2.850 20 10 BFCDHM O=C(Nc1ccccc1)c1cc([O-])cs1 ZINC000731864212 584929886 /nfs/dbraw/zinc/92/98/86/584929886.db2.gz QOKPAZNWMGWOEO-UHFFFAOYSA-N -1 3 219.265 2.706 20 10 BFCDHM O=C(NCC1CCCCC1)c1cc([O-])cs1 ZINC000731865730 584930189 /nfs/dbraw/zinc/93/01/89/584930189.db2.gz FFCIFZGBOPWDPY-UHFFFAOYSA-N -1 3 239.340 2.764 20 10 BFCDHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000731867189 584930493 /nfs/dbraw/zinc/93/04/93/584930493.db2.gz YZYHNGYDWZBNBP-SCZZXKLOSA-N -1 3 239.340 2.762 20 10 BFCDHM O=C(c1cc([O-])cs1)N1CCCCCCC1 ZINC000731866814 584930721 /nfs/dbraw/zinc/93/07/21/584930721.db2.gz QQDCBPAJJHEYHU-UHFFFAOYSA-N -1 3 239.340 2.860 20 10 BFCDHM CC(C)CCN(C)C(=O)c1cc([O-])cs1 ZINC000732268387 584934916 /nfs/dbraw/zinc/93/49/16/584934916.db2.gz DTYFZEPKYNCZDU-UHFFFAOYSA-N -1 3 227.329 2.572 20 10 BFCDHM C[C@@H](N(C)C(=O)c1cc([O-])cs1)C(C)(C)C ZINC000732267736 584935119 /nfs/dbraw/zinc/93/51/19/584935119.db2.gz SXCGHNKUYAVIDD-MRVPVSSYSA-N -1 3 241.356 2.960 20 10 BFCDHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732277987 584935516 /nfs/dbraw/zinc/93/55/16/584935516.db2.gz UGQPIERHQNVVOW-HTQZYQBOSA-N -1 3 227.329 2.618 20 10 BFCDHM O=C(O[C@H]1C=CCCC1)c1cc([O-])cs1 ZINC000733496027 584949923 /nfs/dbraw/zinc/94/99/23/584949923.db2.gz FALOCUQQHADDCO-VIFPVBQESA-N -1 3 224.281 2.719 20 10 BFCDHM C[C@H]1CCCCCN1C(=O)c1cc([O-])cs1 ZINC000734020538 584956519 /nfs/dbraw/zinc/95/65/19/584956519.db2.gz SWKLZDKGQZBOPM-VIFPVBQESA-N -1 3 239.340 2.858 20 10 BFCDHM Cc1cccc(COC(=O)c2cc([O-])cs2)n1 ZINC000736824913 585016905 /nfs/dbraw/zinc/01/69/05/585016905.db2.gz KCPCTZVFAUNPOD-UHFFFAOYSA-N -1 3 249.291 2.514 20 10 BFCDHM CC(C)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000755863488 585309147 /nfs/dbraw/zinc/30/91/47/585309147.db2.gz AYYWKDOYMJKWQW-VIFPVBQESA-N -1 3 239.340 2.572 20 10 BFCDHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000839797462 585474536 /nfs/dbraw/zinc/47/45/36/585474536.db2.gz BHPUWIMUEXPSKX-PSASIEDQSA-N -1 3 239.340 2.618 20 10 BFCDHM Cc1cc(NC(=O)c2cc([O-])cs2)ccc1O ZINC000764872040 585476537 /nfs/dbraw/zinc/47/65/37/585476537.db2.gz NRCSRNJMZNLXSJ-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000839799457 585522859 /nfs/dbraw/zinc/52/28/59/585522859.db2.gz PATXJBCRLSOCCH-JQWIXIFHSA-N -1 3 239.340 2.618 20 10 BFCDHM Cc1cnc([C@@H](C)N(C)Cc2ccccc2[O-])o1 ZINC000771449471 585594401 /nfs/dbraw/zinc/59/44/01/585594401.db2.gz XBRFQHVZULBMHY-LLVKDONJSA-N -1 3 246.310 2.882 20 10 BFCDHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([O-])cs1 ZINC000776262454 585694133 /nfs/dbraw/zinc/69/41/33/585694133.db2.gz CFYOZEBPQIXZLS-PSASIEDQSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000799188872 586165659 /nfs/dbraw/zinc/16/56/59/586165659.db2.gz WTROYKDEMKSSTA-DTWKUNHWSA-N -1 3 239.340 2.620 20 10 BFCDHM CCCc1ncc(CNCc2ccccc2[O-])o1 ZINC000825086332 587303283 /nfs/dbraw/zinc/30/32/83/587303283.db2.gz RTGFCCLFUUUZHC-UHFFFAOYSA-N -1 3 246.310 2.623 20 10 BFCDHM Cc1cc([O-])c(CN2CC3(CC3)C2)cc1Cl ZINC000826029227 587348887 /nfs/dbraw/zinc/34/88/87/587348887.db2.gz AMFUJHGMDFHQPX-UHFFFAOYSA-N -1 3 237.730 2.950 20 10 BFCDHM Cc1cc([O-])c(CN2CC[C@H](F)C2)cc1Cl ZINC000826036768 587348976 /nfs/dbraw/zinc/34/89/76/587348976.db2.gz OMDWPFPHVKBLFZ-JTQLQIEISA-N -1 3 243.709 2.898 20 10 BFCDHM O=C(OCC1=CCCC1)c1cc([O-])cs1 ZINC000828841802 587465897 /nfs/dbraw/zinc/46/58/97/587465897.db2.gz HGYJGRSSNSKWGJ-UHFFFAOYSA-N -1 3 224.281 2.721 20 10 BFCDHM Cc1cc([O-])c(CN2CC(C)C2)c(Cl)c1 ZINC000840941490 587931405 /nfs/dbraw/zinc/93/14/05/587931405.db2.gz XUXJAPDSTOVANZ-UHFFFAOYSA-N -1 3 225.719 2.806 20 10 BFCDHM Cc1noc(C)c1CN(C)Cc1ccccc1[O-] ZINC000109769565 588592196 /nfs/dbraw/zinc/59/21/96/588592196.db2.gz FUZJQIOMQGBMAE-UHFFFAOYSA-N -1 3 246.310 2.629 20 10 BFCDHM COc1cccc([O-])c1CNCc1ccc(C)o1 ZINC000865724355 589458442 /nfs/dbraw/zinc/45/84/42/589458442.db2.gz QQZDJMBMALWYJT-UHFFFAOYSA-N -1 3 247.294 2.592 20 10 BFCDHM Cc1cc(CN(C)Cc2ccc(C)cc2[O-])no1 ZINC000876596153 590220047 /nfs/dbraw/zinc/22/00/47/590220047.db2.gz FJEPCJSBMXIBIV-UHFFFAOYSA-N -1 3 246.310 2.629 20 10 BFCDHM Cc1cccc([O-])c1CN(CC(F)F)C1CC1 ZINC000876715382 590232955 /nfs/dbraw/zinc/23/29/55/590232955.db2.gz NCPFGCPIMSSTIU-UHFFFAOYSA-N -1 3 241.281 2.930 20 10 BFCDHM Cc1nc(C)c(CN2Cc3cccc([O-])c3C2)o1 ZINC000877702563 590396196 /nfs/dbraw/zinc/39/61/96/590396196.db2.gz BRDCCXOVSUUFFP-UHFFFAOYSA-N -1 3 244.294 2.513 20 10 BFCDHM Cc1ccc(CN2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000877769429 590421533 /nfs/dbraw/zinc/42/15/33/590421533.db2.gz BTXDUPBQGIHRHM-UHFFFAOYSA-N -1 3 249.354 2.700 20 10 BFCDHM C[C@H](NCc1ccn(C)c1)c1c([O-])cccc1F ZINC000886537397 592251039 /nfs/dbraw/zinc/25/10/39/592251039.db2.gz ZQJBMNQHDQSPSH-JTQLQIEISA-N -1 3 248.301 2.721 20 10 BFCDHM C[C@@H](N[C@@H](C)c1cn[nH]c1)c1c([O-])cccc1F ZINC000886556573 592260316 /nfs/dbraw/zinc/26/03/16/592260316.db2.gz FUFHBMFNFJOJHU-DTWKUNHWSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@H](NC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886601039 592272436 /nfs/dbraw/zinc/27/24/36/592272436.db2.gz ICSGUKUQOMGXCQ-ZETCQYMHSA-N -1 3 245.244 2.980 20 10 BFCDHM CCCCC1(NC(=O)c2cc([O-])cs2)CC1 ZINC000889526688 592617578 /nfs/dbraw/zinc/61/75/78/592617578.db2.gz OGLZXEZBDYVJQW-UHFFFAOYSA-N -1 3 239.340 2.906 20 10 BFCDHM [O-]c1ccc(Cl)c(F)c1CN1CC=CCC1 ZINC000792173517 644794545 /nfs/dbraw/zinc/79/45/45/644794545.db2.gz BQAUAXKGVSDFAU-UHFFFAOYSA-N -1 3 241.693 2.947 20 10 BFCDHM [O-]c1c(CN2CC(F)C2)ccc2ccccc21 ZINC000816567833 644963073 /nfs/dbraw/zinc/96/30/73/644963073.db2.gz NLVPQYBCBDIKOW-UHFFFAOYSA-N -1 3 231.270 2.699 20 10 BFCDHM C[C@H](N[C@@H](C)C(F)F)c1cc(F)ccc1[O-] ZINC000389967801 712692806 /nfs/dbraw/zinc/69/28/06/712692806.db2.gz OZOXKCGZAXSJDU-BQBZGAKWSA-N -1 3 233.233 2.836 20 10 BFCDHM COc1ccc(CN2CC[C@@H]2C)c([O-])c1Cl ZINC001236801166 979741373 /nfs/dbraw/zinc/74/13/73/979741373.db2.gz GLRDHCXHLHHIND-QMMMGPOBSA-N -1 3 241.718 2.648 20 10 BFCDHM CC1CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934647 980113594 /nfs/dbraw/zinc/11/35/94/980113594.db2.gz LUKBFQJSIIVZJD-UHFFFAOYSA-N -1 3 229.682 2.636 20 10 BFCDHM CC(C)(C)Cc1nnc(-c2cccc(O)c2[O-])o1 ZINC001257839028 971500639 /nfs/dbraw/zinc/50/06/39/971500639.db2.gz KIRJBVSJASDKQK-UHFFFAOYSA-N -1 3 248.282 2.736 20 10 BFCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CCC2)C1 ZINC001142508619 961466732 /nfs/dbraw/zinc/46/67/32/961466732.db2.gz FKHORGGJOQDXQR-UHFFFAOYSA-N -1 3 239.265 2.656 20 10 BFCDHM [O-]c1cccc(F)c1CN1CCCC[C@@H](F)C1 ZINC001137831946 967824923 /nfs/dbraw/zinc/82/49/23/967824923.db2.gz UDXTWISPUVJZNC-SNVBAGLBSA-N -1 3 241.281 2.855 20 10 BFCDHM [O-]c1ccc(F)c(F)c1CN1CC2(CCC2)C1 ZINC001233332349 978567368 /nfs/dbraw/zinc/56/73/68/978567368.db2.gz HZAPBERKXRLYLA-UHFFFAOYSA-N -1 3 239.265 2.656 20 10 BFCDHM [O-]c1c(F)cccc1CN1CCc2occc2C1 ZINC001138129557 990885688 /nfs/dbraw/zinc/88/56/88/990885688.db2.gz KCYZNMFNHQFYTG-UHFFFAOYSA-N -1 3 247.269 2.683 20 10 BFCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001308789466 991137029 /nfs/dbraw/zinc/13/70/29/991137029.db2.gz BLKWPQXZKRPZGB-SFYZADRCSA-N -1 3 227.254 2.511 20 10 BFCDHM C[C@H]([NH2+]C1CC(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594261911 999013397 /nfs/dbraw/zinc/01/33/97/999013397.db2.gz RUPKUFWDLHWYBE-YUCVTWSNSA-N -1 3 249.310 2.540 20 10 BFCDHM C[C@H](N[C@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296240932 383986734 /nfs/dbraw/zinc/98/67/34/383986734.db2.gz AVEQREJFZNPVPB-CBAPKCEASA-N -1 3 245.244 2.920 20 10 BFCDHM CCC[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000748123830 585187710 /nfs/dbraw/zinc/18/77/10/585187710.db2.gz ZJMJTDXPIULNKF-ZETCQYMHSA-N -1 3 214.286 2.799 20 10 BFCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H](C)C(C)C ZINC000854510252 588789927 /nfs/dbraw/zinc/78/99/27/588789927.db2.gz LSKFOJMKCWTKJF-VIFPVBQESA-N -1 3 241.356 2.960 20 10 BFCDHM CC1(C2(NC(=O)c3cc([O-])cs3)CC2)CC1 ZINC000854854264 588813627 /nfs/dbraw/zinc/81/36/27/588813627.db2.gz QZUQPTXRQDHWHW-UHFFFAOYSA-N -1 3 237.324 2.516 20 10 BFCDHM CC(C)[C@H]1CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894136676 583314448 /nfs/dbraw/zinc/31/44/48/583314448.db2.gz AQDJBHGHOMJMCC-GFCCVEGCSA-N -1 3 241.281 2.901 20 10 BFCDHM Cc1ccc(CN(C)Cc2ccns2)c([O-])c1 ZINC000895451963 583676570 /nfs/dbraw/zinc/67/65/70/583676570.db2.gz HKTYUMUZOVAQGZ-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM CN(C(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000731864240 584929735 /nfs/dbraw/zinc/92/97/35/584929735.db2.gz RLJFVKAMAAERLN-UHFFFAOYSA-N -1 3 239.340 2.858 20 10 BFCDHM CCCCN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000732269360 584935407 /nfs/dbraw/zinc/93/54/07/584935407.db2.gz RJIMAWMTXZOQKS-UHFFFAOYSA-N -1 3 239.340 2.858 20 10 BFCDHM CC1(C)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732283193 584935781 /nfs/dbraw/zinc/93/57/81/584935781.db2.gz RSUKOLMXHDCRNQ-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CC(C(F)F)C1 ZINC000839140611 585094437 /nfs/dbraw/zinc/09/44/37/585094437.db2.gz HUJFQJCEKFGAET-UHFFFAOYSA-N -1 3 247.672 2.743 20 10 BFCDHM CC[C@H](C)CN(CC)C(=O)c1cc([O-])cs1 ZINC000748434648 585193063 /nfs/dbraw/zinc/19/30/63/585193063.db2.gz JBLRQPGAHWNBIV-VIFPVBQESA-N -1 3 241.356 2.962 20 10 BFCDHM CC[C@@H](C)COC(=O)c1cc([O-])cs1 ZINC000756411197 585319535 /nfs/dbraw/zinc/31/95/35/585319535.db2.gz PTLKHMUKVXLQAX-SSDOTTSWSA-N -1 3 214.286 2.657 20 10 BFCDHM CC[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000757434075 585336864 /nfs/dbraw/zinc/33/68/64/585336864.db2.gz AZAOCDDOWVCVAR-PSASIEDQSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1ccncc1 ZINC000757711561 585344681 /nfs/dbraw/zinc/34/46/81/585344681.db2.gz SELFDLRTVZQYAL-MRVPVSSYSA-N -1 3 249.291 2.767 20 10 BFCDHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000839799462 585522900 /nfs/dbraw/zinc/52/29/00/585522900.db2.gz PATXJBCRLSOCCH-ZYHUDNBSSA-N -1 3 239.340 2.618 20 10 BFCDHM CCC1(NC(=O)c2cc([O-])cs2)CCC1 ZINC000839800997 585573144 /nfs/dbraw/zinc/57/31/44/585573144.db2.gz XXHKRRUTHBIIGY-UHFFFAOYSA-N -1 3 225.313 2.516 20 10 BFCDHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cs1 ZINC000772932066 585627793 /nfs/dbraw/zinc/62/77/93/585627793.db2.gz KRPGYDPFFGKSSG-RKDXNWHRSA-N -1 3 239.340 2.857 20 10 BFCDHM O=C(c1cc([O-])cs1)N1CCCC12CCC2 ZINC000774558637 585661197 /nfs/dbraw/zinc/66/11/97/585661197.db2.gz NUIATSPFHVAGHF-UHFFFAOYSA-N -1 3 237.324 2.612 20 10 BFCDHM COc1ccc(NCc2cc(F)ccc2[O-])nc1 ZINC000779092617 585744847 /nfs/dbraw/zinc/74/48/47/585744847.db2.gz KNZCOYDQJKNIBC-UHFFFAOYSA-N -1 3 248.257 2.547 20 10 BFCDHM CC[C@H](NCc1ccon1)c1ccc(C)cc1[O-] ZINC000794806219 586049221 /nfs/dbraw/zinc/04/92/21/586049221.db2.gz YZPFFKALLQKSTR-ZDUSSCGKSA-N -1 3 246.310 2.930 20 10 BFCDHM CC[C@@H](NCc1ccon1)c1ccc(C)cc1[O-] ZINC000794806217 586049358 /nfs/dbraw/zinc/04/93/58/586049358.db2.gz YZPFFKALLQKSTR-CYBMUJFWSA-N -1 3 246.310 2.930 20 10 BFCDHM C[C@H](NC1(C(F)F)CC1)c1cc(F)ccc1[O-] ZINC000800503225 586223934 /nfs/dbraw/zinc/22/39/34/586223934.db2.gz PXDJIDKIHKLSHH-ZETCQYMHSA-N -1 3 245.244 2.980 20 10 BFCDHM CC(C)SCCOC(=O)c1cc([O-])cs1 ZINC000803345584 586345959 /nfs/dbraw/zinc/34/59/59/586345959.db2.gz DMJMVMCDZCSKLH-UHFFFAOYSA-N -1 3 246.353 2.752 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CC(C2CC2)C1 ZINC000812776810 586584114 /nfs/dbraw/zinc/58/41/14/586584114.db2.gz ZKBXMECMVWRIIE-UHFFFAOYSA-N -1 3 237.730 2.887 20 10 BFCDHM CC[C@@H](NCc1ccccc1[O-])C(F)F ZINC000824509727 587272142 /nfs/dbraw/zinc/27/21/42/587272142.db2.gz NIBPRQPPXXSCTD-SECBINFHSA-N -1 3 215.243 2.526 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CC2(CC2)C1 ZINC000824533696 587274174 /nfs/dbraw/zinc/27/41/74/587274174.db2.gz KNAQBUNHQVEHCS-UHFFFAOYSA-N -1 3 223.703 2.641 20 10 BFCDHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([O-])cs1 ZINC000826064593 587349007 /nfs/dbraw/zinc/34/90/07/587349007.db2.gz LZEWYPKKDAAJJC-RKDXNWHRSA-N -1 3 239.340 2.857 20 10 BFCDHM CCC(C)(CC)NC(=O)c1cc([O-])cs1 ZINC000827602347 587392090 /nfs/dbraw/zinc/39/20/90/587392090.db2.gz NTKAGVNUBMCQKT-UHFFFAOYSA-N -1 3 227.329 2.762 20 10 BFCDHM Cc1cc([O-])c(CN2CC[C@H](F)C2)c(Cl)c1 ZINC000840950185 587931678 /nfs/dbraw/zinc/93/16/78/587931678.db2.gz FTNWSWNKWQCSAF-VIFPVBQESA-N -1 3 243.709 2.898 20 10 BFCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000862443330 589213787 /nfs/dbraw/zinc/21/37/87/589213787.db2.gz OGTQBKZNPJZGLR-OCAPTIKFSA-N -1 3 241.693 2.636 20 10 BFCDHM CC(C)[C@@H]1CCN1Cc1ccc(F)c(F)c1[O-] ZINC000876879318 590253097 /nfs/dbraw/zinc/25/30/97/590253097.db2.gz PRRWMSGOBNQALD-NSHDSACASA-N -1 3 241.281 2.901 20 10 BFCDHM Cc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000126234944 590255673 /nfs/dbraw/zinc/25/56/73/590255673.db2.gz IJUCVRPDYJRZIL-UHFFFAOYSA-N -1 3 243.262 2.659 20 10 BFCDHM Cc1ccc(CN2CCCC(F)(F)C2)c([O-])c1 ZINC000877610956 590372773 /nfs/dbraw/zinc/37/27/73/590372773.db2.gz MTMFNWIXVJTBDQ-UHFFFAOYSA-N -1 3 241.281 2.932 20 10 BFCDHM Cc1cc(CN2Cc3cccc([O-])c3C2)sn1 ZINC000877703166 590395719 /nfs/dbraw/zinc/39/57/19/590395719.db2.gz UKQPOGHFQDGNPM-UHFFFAOYSA-N -1 3 246.335 2.673 20 10 BFCDHM Cc1csc(CN2Cc3cccc([O-])c3C2)n1 ZINC000877702730 590395828 /nfs/dbraw/zinc/39/58/28/590395828.db2.gz FOSSKIKBCVPYRI-UHFFFAOYSA-N -1 3 246.335 2.673 20 10 BFCDHM Cc1nc(CN[C@@H](C)c2ccccc2[O-])[nH]c1C ZINC000877758368 590418528 /nfs/dbraw/zinc/41/85/28/590418528.db2.gz WKFACQUZLPZXLM-NSHDSACASA-N -1 3 245.326 2.583 20 10 BFCDHM Cc1c(N[C@@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000186368762 643686474 /nfs/dbraw/zinc/68/64/74/643686474.db2.gz JURHRWSZMUOGED-QMMMGPOBSA-N -1 3 249.289 2.746 20 10 BFCDHM [O-]c1c(CN2CCCCC2)ccc(F)c1F ZINC000703448077 712076126 /nfs/dbraw/zinc/07/61/26/712076126.db2.gz PRYQTLIPGNHNQN-UHFFFAOYSA-N -1 3 227.254 2.656 20 10 BFCDHM Cc1cscc1NC(=O)c1cccc(O)c1[O-] ZINC000395648847 711696613 /nfs/dbraw/zinc/69/66/13/711696613.db2.gz PQIOZWXUGDHGLT-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CCC(F)(F)C1 ZINC000313318650 711716713 /nfs/dbraw/zinc/71/67/13/711716713.db2.gz NPHNFLZJUBCMIV-UHFFFAOYSA-N -1 3 247.672 2.887 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H](F)C1 ZINC000701673864 712027037 /nfs/dbraw/zinc/02/70/37/712027037.db2.gz NSJDKQWHJFDAQG-SECBINFHSA-N -1 3 243.709 2.980 20 10 BFCDHM [O-]c1cc(Cl)c(F)cc1CN1CC=CC1 ZINC001237933558 980115064 /nfs/dbraw/zinc/11/50/64/980115064.db2.gz CNJLBGTWWNDZJQ-UHFFFAOYSA-N -1 3 227.666 2.557 20 10 BFCDHM [O-]c1cccc(F)c1CN1CCCC[C@H](F)C1 ZINC001137831945 967825454 /nfs/dbraw/zinc/82/54/54/967825454.db2.gz UDXTWISPUVJZNC-JTQLQIEISA-N -1 3 241.281 2.855 20 10 BFCDHM [O-]c1c(CN2CCCO2)ccc2ccccc21 ZINC001231879718 977782486 /nfs/dbraw/zinc/78/24/86/977782486.db2.gz PKCSQKHMRXFMND-UHFFFAOYSA-N -1 3 229.279 2.683 20 10 BFCDHM C[C@H]([NH2+]C1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604328771 979618197 /nfs/dbraw/zinc/61/81/97/979618197.db2.gz FZSOGEUHDBZNIL-VIFPVBQESA-N -1 3 249.310 2.684 20 10 BFCDHM CN(CCF)Cc1cc(F)c(Cl)cc1[O-] ZINC001237944060 980113271 /nfs/dbraw/zinc/11/32/71/980113271.db2.gz RZGUNWIUXWBREN-UHFFFAOYSA-N -1 3 235.661 2.586 20 10 BFCDHM [O-]c1cc(Cl)ccc1CN1CC[C@@H](F)C1 ZINC001140462937 991643584 /nfs/dbraw/zinc/64/35/84/991643584.db2.gz OPMOKCVZOMXZNT-SNVBAGLBSA-N -1 3 229.682 2.589 20 10 BFCDHM C[C@@H](N[C@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287437296 398143500 /nfs/dbraw/zinc/14/35/00/398143500.db2.gz UEWSEVDREXEAOL-HTQZYQBOSA-N -1 3 233.233 2.994 20 10 BFCDHM CCCN(Cc1ncc[nH]1)Cc1ccccc1[O-] ZINC000109836051 169180452 /nfs/dbraw/zinc/18/04/52/169180452.db2.gz JEFWNUMIINDIGC-UHFFFAOYSA-N -1 3 245.326 2.528 20 10 BFCDHM C[C@@H](NCCF)c1cc(Cl)ccc1[O-] ZINC000280886846 385380835 /nfs/dbraw/zinc/38/08/35/385380835.db2.gz BFKYTPRIUYZQSH-SSDOTTSWSA-N -1 3 217.671 2.666 20 10 BFCDHM C[C@@H]1C[C@@H](C)N1Cc1cc(F)cc(F)c1[O-] ZINC000894600180 583490375 /nfs/dbraw/zinc/49/03/75/583490375.db2.gz FSORDYHLEFLEFJ-HTQZYQBOSA-N -1 3 227.254 2.653 20 10 BFCDHM [O-]c1c(F)cc(F)cc1CN1CC(C2CC2)C1 ZINC000894814179 583524421 /nfs/dbraw/zinc/52/44/21/583524421.db2.gz UVVWCORCOXZBLY-UHFFFAOYSA-N -1 3 239.265 2.512 20 10 BFCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000894861666 583535105 /nfs/dbraw/zinc/53/51/05/583535105.db2.gz LPLPJDNQLLDPQG-SFYZADRCSA-N -1 3 227.254 2.511 20 10 BFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H]2C[C@H]2C1 ZINC000895326878 583651552 /nfs/dbraw/zinc/65/15/52/583651552.db2.gz INFIPBBLGXHZDR-IUCAKERBSA-N -1 3 239.265 2.512 20 10 BFCDHM Cc1cccc([O-])c1CN1CC[C@H]1C(F)F ZINC000895432114 583670715 /nfs/dbraw/zinc/67/07/15/583670715.db2.gz UXMAAIJATDHHID-JTQLQIEISA-N -1 3 227.254 2.540 20 10 BFCDHM Cc1ccc([C@H](C)NCc2ccon2)c([O-])c1 ZINC000148665398 584030860 /nfs/dbraw/zinc/03/08/60/584030860.db2.gz ZLWMPCXNNCLYEF-JTQLQIEISA-N -1 3 232.283 2.539 20 10 BFCDHM CC[C@H](NCc1ccon1)c1ccccc1[O-] ZINC000148731263 584035113 /nfs/dbraw/zinc/03/51/13/584035113.db2.gz AQGQBGHDVQSRDN-LBPRGKRZSA-N -1 3 232.283 2.621 20 10 BFCDHM [O-]c1c(Cl)cccc1CNCC1(F)CC1 ZINC000898218554 584093189 /nfs/dbraw/zinc/09/31/89/584093189.db2.gz JVDXDFUBTAWSHR-UHFFFAOYSA-N -1 3 229.682 2.637 20 10 BFCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731861983 584929733 /nfs/dbraw/zinc/92/97/33/584929733.db2.gz VQAMTGJAXUZDNM-VIFPVBQESA-N -1 3 247.319 2.945 20 10 BFCDHM COc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731863907 584929825 /nfs/dbraw/zinc/92/98/25/584929825.db2.gz JMOZBQQJDRVMHO-UHFFFAOYSA-N -1 3 249.291 2.715 20 10 BFCDHM CC(C)CCCNC(=O)c1cc([O-])cs1 ZINC000732268374 584935053 /nfs/dbraw/zinc/93/50/53/584935053.db2.gz KHLNAMUUYISCGS-UHFFFAOYSA-N -1 3 227.329 2.620 20 10 BFCDHM O=C(OCC1CCCC1)c1cc([O-])cs1 ZINC000732353445 584936066 /nfs/dbraw/zinc/93/60/66/584936066.db2.gz PGJKLOANBCXUDY-UHFFFAOYSA-N -1 3 226.297 2.801 20 10 BFCDHM CC[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000734861835 584969223 /nfs/dbraw/zinc/96/92/23/584969223.db2.gz AGUJKXZROJLPJS-SECBINFHSA-N -1 3 239.340 2.858 20 10 BFCDHM CC[C@@]1(C)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000759099615 585364174 /nfs/dbraw/zinc/36/41/74/585364174.db2.gz QJZVWSUWHYEXMB-LBPRGKRZSA-N -1 3 239.340 2.716 20 10 BFCDHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc([O-])cs1 ZINC000776262455 585694215 /nfs/dbraw/zinc/69/42/15/585694215.db2.gz CFYOZEBPQIXZLS-SCZZXKLOSA-N -1 3 239.340 2.714 20 10 BFCDHM CC[C@H](NCc1cocn1)c1ccc(C)cc1[O-] ZINC000794816208 586049272 /nfs/dbraw/zinc/04/92/72/586049272.db2.gz YBILSJZAVRJJIQ-ZDUSSCGKSA-N -1 3 246.310 2.930 20 10 BFCDHM [O-]c1cc(F)c(Cl)cc1CN1CC=CCC1 ZINC000816564730 586740325 /nfs/dbraw/zinc/74/03/25/586740325.db2.gz OKAREJHCISNUSG-UHFFFAOYSA-N -1 3 241.693 2.947 20 10 BFCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000822438098 587168233 /nfs/dbraw/zinc/16/82/33/587168233.db2.gz CKXHLGBUBHONHF-RKDXNWHRSA-N -1 3 239.340 2.714 20 10 BFCDHM CC[C@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000824510630 587272773 /nfs/dbraw/zinc/27/27/73/587272773.db2.gz YKVGSKTUNTUEHI-VIFPVBQESA-N -1 3 233.233 2.665 20 10 BFCDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(CC2)C1 ZINC000824533911 587274107 /nfs/dbraw/zinc/27/41/07/587274107.db2.gz SGPDDAWGOHTQOF-UHFFFAOYSA-N -1 3 241.693 2.781 20 10 BFCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)C=CCC1 ZINC000830180382 587540074 /nfs/dbraw/zinc/54/00/74/587540074.db2.gz LQORCSLTDWIQEZ-CQSZACIVSA-N -1 3 249.285 2.504 20 10 BFCDHM O=C(NCCC1CC=CC1)c1cc([O-])cs1 ZINC000831426526 587605911 /nfs/dbraw/zinc/60/59/11/587605911.db2.gz HZYIFWBMBXJDTF-UHFFFAOYSA-N -1 3 237.324 2.540 20 10 BFCDHM [O-]c1cccc2c1[C@@H](NC1(C(F)F)CC1)CC2 ZINC000834794484 587767079 /nfs/dbraw/zinc/76/70/79/587767079.db2.gz ZUUHMLBLDPXIFP-VIFPVBQESA-N -1 3 239.265 2.767 20 10 BFCDHM C[C@@H](NCCF)c1ccc(Cl)cc1[O-] ZINC000841751865 587973859 /nfs/dbraw/zinc/97/38/59/587973859.db2.gz KZZPZOVDCINVET-SSDOTTSWSA-N -1 3 217.671 2.666 20 10 BFCDHM CC(C)CC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846478329 588267348 /nfs/dbraw/zinc/26/73/48/588267348.db2.gz BSRBZPPYJZZSQS-UHFFFAOYSA-N -1 3 241.718 2.708 20 10 BFCDHM O=C(OCCC1CCC1)c1cc([O-])cs1 ZINC000849728638 588490847 /nfs/dbraw/zinc/49/08/47/588490847.db2.gz WCDHLAKJKIMSMW-UHFFFAOYSA-N -1 3 226.297 2.801 20 10 BFCDHM [O-]c1ccccc1CNCc1cnc(C2CC2)o1 ZINC000862275048 589198670 /nfs/dbraw/zinc/19/86/70/589198670.db2.gz ZPBFJSCHFMKTRY-UHFFFAOYSA-N -1 3 244.294 2.547 20 10 BFCDHM CN(Cc1c([O-])cccc1Cl)CC(F)F ZINC000120160336 589384969 /nfs/dbraw/zinc/38/49/69/589384969.db2.gz FILRLAGTJUXUBR-UHFFFAOYSA-N -1 3 235.661 2.743 20 10 BFCDHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cc([O-])cs1 ZINC000870535894 589672326 /nfs/dbraw/zinc/67/23/26/589672326.db2.gz NRDUTLJSKJIFOF-UFBFGSQYSA-N -1 3 237.324 2.516 20 10 BFCDHM CCN(Cc1ccc(C)cc1[O-])CC(F)F ZINC000877330446 590313096 /nfs/dbraw/zinc/31/30/96/590313096.db2.gz CZCVDAZOKXZXKN-UHFFFAOYSA-N -1 3 229.270 2.788 20 10 BFCDHM Cc1ccc(CNC(C)(C)C(F)F)c([O-])c1 ZINC000877487711 590339299 /nfs/dbraw/zinc/33/92/99/590339299.db2.gz AEROVCBXEWDHOQ-UHFFFAOYSA-N -1 3 229.270 2.834 20 10 BFCDHM [O-]c1c(CN2CC[C@@H]2C2CC2)ccc(F)c1F ZINC000877562516 590359976 /nfs/dbraw/zinc/35/99/76/590359976.db2.gz VJSPBPISRRICIZ-LLVKDONJSA-N -1 3 239.265 2.655 20 10 BFCDHM Cc1ncsc1CN1Cc2cccc([O-])c2C1 ZINC000877703057 590395371 /nfs/dbraw/zinc/39/53/71/590395371.db2.gz PMMVLORWFHFAEU-UHFFFAOYSA-N -1 3 246.335 2.673 20 10 BFCDHM Cc1noc(C)c1CN1Cc2cccc([O-])c2C1 ZINC000877703480 590397613 /nfs/dbraw/zinc/39/76/13/590397613.db2.gz LJAHTZBWQWLCTA-UHFFFAOYSA-N -1 3 244.294 2.513 20 10 BFCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1cn[nH]c1 ZINC000886556572 592260378 /nfs/dbraw/zinc/26/03/78/592260378.db2.gz FUFHBMFNFJOJHU-BDAKNGLRSA-N -1 3 249.289 2.666 20 10 BFCDHM CCn1cc(N[C@H](C)c2c([O-])cccc2F)cn1 ZINC000886578459 592267341 /nfs/dbraw/zinc/26/73/41/592267341.db2.gz XQARWIBWFJYGHW-SECBINFHSA-N -1 3 249.289 2.921 20 10 BFCDHM Cc1c(N[C@H](C)c2c([O-])cccc2F)cnn1C ZINC000886580544 592269337 /nfs/dbraw/zinc/26/93/37/592269337.db2.gz MPDHTIKHZMDDBM-MRVPVSSYSA-N -1 3 249.289 2.746 20 10 BFCDHM Cc1ccc(C(=O)Nc2ccsc2)c([O-])c1O ZINC000179505697 632729776 /nfs/dbraw/zinc/72/97/76/632729776.db2.gz QVCORZICECVKOZ-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM CC(C)(C)CC(=O)NCc1c([O-])cccc1F ZINC000928707724 636341495 /nfs/dbraw/zinc/34/14/95/636341495.db2.gz BEZIIFXUOHGSTA-UHFFFAOYSA-N -1 3 239.290 2.584 20 10 BFCDHM C[C@@H](NCC(C)(F)F)c1cc(F)ccc1[O-] ZINC000393508319 710608850 /nfs/dbraw/zinc/60/88/50/710608850.db2.gz INTIDWCVKXJPTM-SSDOTTSWSA-N -1 3 233.233 2.837 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](F)C1 ZINC000689844801 959308868 /nfs/dbraw/zinc/30/88/68/959308868.db2.gz BALYGGHJFHBHNH-MRVPVSSYSA-N -1 3 229.682 2.589 20 10 BFCDHM [O-]c1ccc(F)c(Cl)c1CN1CC=CC1 ZINC001237122377 979820518 /nfs/dbraw/zinc/82/05/18/979820518.db2.gz ULRPRDNSDNOIOW-UHFFFAOYSA-N -1 3 227.666 2.557 20 10 BFCDHM C[C@@H]1CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933383 980112812 /nfs/dbraw/zinc/11/28/12/980112812.db2.gz ASCLHFSYNFYISE-SSDOTTSWSA-N -1 3 229.682 2.779 20 10 BFCDHM [O-]c1c(O)cccc1-c1nnc(C2CCCC2)o1 ZINC001257499784 971416566 /nfs/dbraw/zinc/41/65/66/971416566.db2.gz OFMUFPWAWJZERV-UHFFFAOYSA-N -1 3 246.266 2.805 20 10 BFCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1CF ZINC001142534740 964374943 /nfs/dbraw/zinc/37/49/43/964374943.db2.gz UQGHKCUOPFOOQY-SECBINFHSA-N -1 3 245.244 2.604 20 10 BFCDHM Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175096733 977271780 /nfs/dbraw/zinc/27/17/80/977271780.db2.gz ITGGSODCTLXDNQ-UHFFFAOYSA-N -1 3 236.221 2.996 20 10 BFCDHM Cc1cc([O-])c(CN2CC(C)(F)C2)cc1Cl ZINC001231866592 977773357 /nfs/dbraw/zinc/77/33/57/977773357.db2.gz ASHUGLFMBQBIJI-UHFFFAOYSA-N -1 3 243.709 2.898 20 10 BFCDHM CN(Cc1c([O-])ccc(F)c1Cl)C1CC1 ZINC001237119201 979821317 /nfs/dbraw/zinc/82/13/17/979821317.db2.gz BUABLDXAUYUOBQ-UHFFFAOYSA-N -1 3 229.682 2.779 20 10 BFCDHM Cc1cnc(C)nc1NCc1c([O-])cccc1F ZINC001458623750 985335499 /nfs/dbraw/zinc/33/54/99/985335499.db2.gz UNYKFFRFZYNZKU-UHFFFAOYSA-N -1 3 247.273 2.550 20 10 BFCDHM [O-]c1cccc(F)c1CN1CC2(CCC2)C1 ZINC001137832960 990858272 /nfs/dbraw/zinc/85/82/72/990858272.db2.gz NRRUCJSZUKSUJE-UHFFFAOYSA-N -1 3 221.275 2.517 20 10 BFCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001308789467 991134373 /nfs/dbraw/zinc/13/43/73/991134373.db2.gz BLKWPQXZKRPZGB-YUMQZZPRSA-N -1 3 227.254 2.511 20 10 BFCDHM [O-]c1cc(F)c(F)cc1CN1CC(C2CC2)C1 ZINC001308790310 991134581 /nfs/dbraw/zinc/13/45/81/991134581.db2.gz PTWWOOCXEJORMW-UHFFFAOYSA-N -1 3 239.265 2.512 20 10 BFCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@H]2C[C@H]21 ZINC001139688073 991319821 /nfs/dbraw/zinc/31/98/21/991319821.db2.gz YGVOSFGOLFKBAF-QPUJVOFHSA-N -1 3 239.265 2.655 20 10 BFCDHM C[C@@H]1C[C@H](F)CN1Cc1ccc(Cl)cc1[O-] ZINC001140460992 991643060 /nfs/dbraw/zinc/64/30/60/991643060.db2.gz AOTQCTOOBCPATM-KCJUWKMLSA-N -1 3 243.709 2.978 20 10 BFCDHM C[C@@H]([NH2+]CC1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252855 994509648 /nfs/dbraw/zinc/50/96/48/994509648.db2.gz VYFPLJWRZXBERU-SECBINFHSA-N -1 3 249.310 2.541 20 10 BFCDHM CO[C@@H](C)CN(C)Cc1c([O-])cccc1Cl ZINC000289969686 188210469 /nfs/dbraw/zinc/21/04/69/188210469.db2.gz ZIPTWDSQJKAEBW-VIFPVBQESA-N -1 3 243.734 2.512 20 10 BFCDHM [O-]c1cccc2c1[C@H](NCc1nccs1)CC2 ZINC000296186225 183298277 /nfs/dbraw/zinc/29/82/77/183298277.db2.gz YGVNJBNCPGDYBB-SNVBAGLBSA-N -1 3 246.335 2.626 20 10 BFCDHM C[NH+](Cc1ccccc1[O-])Cc1ccccc1[O-] ZINC000001594830 383910054 /nfs/dbraw/zinc/91/00/54/383910054.db2.gz FIOWAMVKCQRZPM-UHFFFAOYSA-N -1 3 243.306 2.730 20 10 BFCDHM CCCCN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000126290172 384789148 /nfs/dbraw/zinc/78/91/48/384789148.db2.gz SGXVDIDVCHLUOM-UHFFFAOYSA-N -1 3 249.310 2.503 20 10 BFCDHM COCCCN(C)Cc1c([O-])cccc1Cl ZINC000132721007 174219006 /nfs/dbraw/zinc/21/90/06/174219006.db2.gz DXNQZNCWMZHFFG-UHFFFAOYSA-N -1 3 243.734 2.514 20 10 BFCDHM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1cc([O-])cs1 ZINC000853897963 588767781 /nfs/dbraw/zinc/76/77/81/588767781.db2.gz XDKCSNJRAPWSGW-AYMMMOKOSA-N -1 3 238.308 2.657 20 10 BFCDHM CCC1(NC(=O)c2cc([O-])cs2)CCCC1 ZINC000854747151 588804984 /nfs/dbraw/zinc/80/49/84/588804984.db2.gz AGYQJVZPCNWCSX-UHFFFAOYSA-N -1 3 239.340 2.906 20 10 BFCDHM CC1=CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894034349 583278621 /nfs/dbraw/zinc/27/86/21/583278621.db2.gz RQWHWZKCHFQWMS-UHFFFAOYSA-N -1 3 239.265 2.822 20 10 BFCDHM C[C@@H]1C[C@H](C)N1Cc1cc(F)cc(F)c1[O-] ZINC000894600182 583490282 /nfs/dbraw/zinc/49/02/82/583490282.db2.gz FSORDYHLEFLEFJ-OCAPTIKFSA-N -1 3 227.254 2.653 20 10 BFCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895458164 583677411 /nfs/dbraw/zinc/67/74/11/583677411.db2.gz UQJGOIHYJPHKTL-UHFFFAOYSA-N -1 3 227.254 2.512 20 10 BFCDHM CC[C@@H](NCc1ccon1)c1ccccc1[O-] ZINC000148731466 584035279 /nfs/dbraw/zinc/03/52/79/584035279.db2.gz AQGQBGHDVQSRDN-GFCCVEGCSA-N -1 3 232.283 2.621 20 10 BFCDHM CCCN(CC1CC1)C(=O)c1cc([O-])cs1 ZINC000732260978 584935059 /nfs/dbraw/zinc/93/50/59/584935059.db2.gz CSXZVNCCLPBYEE-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM CC(C)(C)CCNC(=O)c1cc([O-])cs1 ZINC000732268718 584935094 /nfs/dbraw/zinc/93/50/94/584935094.db2.gz APBFOFWSNRTESR-UHFFFAOYSA-N -1 3 227.329 2.620 20 10 BFCDHM CC[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732269275 584935218 /nfs/dbraw/zinc/93/52/18/584935218.db2.gz HFSIRGCJULIQPI-SECBINFHSA-N -1 3 239.340 2.716 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CC(C(F)F)C1 ZINC000839141610 585094577 /nfs/dbraw/zinc/09/45/77/585094577.db2.gz SWAZJGUCYWDWRE-UHFFFAOYSA-N -1 3 247.672 2.743 20 10 BFCDHM C[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000743821644 585139988 /nfs/dbraw/zinc/13/99/88/585139988.db2.gz SYPKRWKZOKATTR-IUCAKERBSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000743821645 585140106 /nfs/dbraw/zinc/14/01/06/585140106.db2.gz SYPKRWKZOKATTR-RKDXNWHRSA-N -1 3 239.340 2.714 20 10 BFCDHM Cc1cc(Cl)cc(CN2CC(F)C2)c1[O-] ZINC000753576663 585262265 /nfs/dbraw/zinc/26/22/65/585262265.db2.gz OJBRYZPKFQPURP-UHFFFAOYSA-N -1 3 229.682 2.508 20 10 BFCDHM [O-]c1ccccc1CN(CCF)Cc1ccco1 ZINC000759347194 585370662 /nfs/dbraw/zinc/37/06/62/585370662.db2.gz KMJRWELGSYBUOT-UHFFFAOYSA-N -1 3 249.285 2.957 20 10 BFCDHM CCN(C(=O)c1cc([O-])cs1)C1CCCC1 ZINC000762554069 585433839 /nfs/dbraw/zinc/43/38/39/585433839.db2.gz IHZHPAJORICSTC-UHFFFAOYSA-N -1 3 239.340 2.858 20 10 BFCDHM CC/C=C/CCOC(=O)c1cc([O-])cs1 ZINC000767539570 585522307 /nfs/dbraw/zinc/52/23/07/585522307.db2.gz XTKLQFVRUUMPSU-ONEGZZNKSA-N -1 3 226.297 2.967 20 10 BFCDHM COc1cccc([O-])c1CN(C)Cc1ccco1 ZINC000768184165 585533515 /nfs/dbraw/zinc/53/35/15/585533515.db2.gz HCFUNRBRFJBKFV-UHFFFAOYSA-N -1 3 247.294 2.626 20 10 BFCDHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cs1 ZINC000776262456 585694188 /nfs/dbraw/zinc/69/41/88/585694188.db2.gz CFYOZEBPQIXZLS-WCBMZHEXSA-N -1 3 239.340 2.714 20 10 BFCDHM CN(Cc1cccn1C)Cc1cc(F)ccc1[O-] ZINC000779018166 585743946 /nfs/dbraw/zinc/74/39/46/585743946.db2.gz DWUWAGGYEZIQSI-UHFFFAOYSA-N -1 3 248.301 2.502 20 10 BFCDHM C[C@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000795993904 586095741 /nfs/dbraw/zinc/09/57/41/586095741.db2.gz VWQSKJRWRLEZBL-IUCAKERBSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000795993901 586095746 /nfs/dbraw/zinc/09/57/46/586095746.db2.gz VWQSKJRWRLEZBL-DTWKUNHWSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)[C@H]1C ZINC000816647072 586748518 /nfs/dbraw/zinc/74/85/18/586748518.db2.gz NDMKCHJIBPVLNC-IUCAKERBSA-N -1 3 225.719 2.886 20 10 BFCDHM Cc1cc(Cl)cc(CN2CC[C@@H](F)C2)c1[O-] ZINC000824733356 587284699 /nfs/dbraw/zinc/28/46/99/587284699.db2.gz OWRZSRPTNDLIBZ-LLVKDONJSA-N -1 3 243.709 2.898 20 10 BFCDHM Cc1cc([O-])c(CN2CC(C)C2)cc1Cl ZINC000825743936 587336636 /nfs/dbraw/zinc/33/66/36/587336636.db2.gz BWZNZTRHRDPDHH-UHFFFAOYSA-N -1 3 225.719 2.806 20 10 BFCDHM CCc1ncc(CN[C@H](C)c2ccccc2[O-])o1 ZINC000834898316 587769658 /nfs/dbraw/zinc/76/96/58/587769658.db2.gz CCPJADYYWPNFAW-SNVBAGLBSA-N -1 3 246.310 2.793 20 10 BFCDHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1nccn1C ZINC000850572173 588561127 /nfs/dbraw/zinc/56/11/27/588561127.db2.gz HKRDMJYTCCZKSR-GHMZBOCLSA-N -1 3 245.326 2.538 20 10 BFCDHM Cc1cccc([O-])c1CN(C)Cc1nccs1 ZINC000876760700 590238855 /nfs/dbraw/zinc/23/88/55/590238855.db2.gz OSTZDGFQWROSSJ-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM [O-]c1ccccc1CNCc1cc(C2CC2)no1 ZINC000876995491 590267111 /nfs/dbraw/zinc/26/71/11/590267111.db2.gz DLQJMOGJVGTQEV-UHFFFAOYSA-N -1 3 244.294 2.547 20 10 BFCDHM C[C@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126431159 590302203 /nfs/dbraw/zinc/30/22/03/590302203.db2.gz LXSYNDPEHONAPI-JTQLQIEISA-N -1 3 249.310 2.503 20 10 BFCDHM CCN(Cc1c(C)cccc1[O-])CC(F)F ZINC000877331414 590318215 /nfs/dbraw/zinc/31/82/15/590318215.db2.gz OJTSSBSDGCQSRC-UHFFFAOYSA-N -1 3 229.270 2.788 20 10 BFCDHM Cc1cccc([O-])c1CN[C@@H]1CCCC1(F)F ZINC000877533990 590349888 /nfs/dbraw/zinc/34/98/88/590349888.db2.gz YVTSIMFMZMXYEG-GFCCVEGCSA-N -1 3 241.281 2.978 20 10 BFCDHM CCC(F)(F)CNCc1c(C)cccc1[O-] ZINC000877655159 590384787 /nfs/dbraw/zinc/38/47/87/590384787.db2.gz PXSVGKJFHLPUIN-UHFFFAOYSA-N -1 3 229.270 2.836 20 10 BFCDHM Cc1ccc(CN2Cc3cccc([O-])c3C2)cn1 ZINC000877703276 590396578 /nfs/dbraw/zinc/39/65/78/590396578.db2.gz ZKPKMQLMDFVPRF-UHFFFAOYSA-N -1 3 240.306 2.611 20 10 BFCDHM Cc1cccc([O-])c1CN1CC(OC(C)(C)C)C1 ZINC000877770707 590422435 /nfs/dbraw/zinc/42/24/35/590422435.db2.gz XFCHLXVDDPNORE-UHFFFAOYSA-N -1 3 249.354 2.700 20 10 BFCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC=CCC1 ZINC000928707827 636340744 /nfs/dbraw/zinc/34/07/44/636340744.db2.gz CMSGITWFWNNCSP-JTQLQIEISA-N -1 3 249.285 2.504 20 10 BFCDHM CC(C)(NCc1cc(F)ccc1[O-])C(F)F ZINC000381395402 710632306 /nfs/dbraw/zinc/63/23/06/710632306.db2.gz OPLIZUNARPVHSL-UHFFFAOYSA-N -1 3 233.233 2.665 20 10 BFCDHM CC(F)(F)CNCc1cc(Cl)ccc1[O-] ZINC000382384626 711573299 /nfs/dbraw/zinc/57/32/99/711573299.db2.gz KKUBVELYTDBMIQ-UHFFFAOYSA-N -1 3 235.661 2.790 20 10 BFCDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])C(F)F ZINC000389967802 712692727 /nfs/dbraw/zinc/69/27/27/712692727.db2.gz OZOXKCGZAXSJDU-NKWVEPMBSA-N -1 3 233.233 2.836 20 10 BFCDHM CC1CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119851 979820668 /nfs/dbraw/zinc/82/06/68/979820668.db2.gz GTPFLKFEMWXBBY-UHFFFAOYSA-N -1 3 229.682 2.636 20 10 BFCDHM CCCCCc1nnc(-c2cccc(O)c2[O-])o1 ZINC001256068375 970635931 /nfs/dbraw/zinc/63/59/31/970635931.db2.gz RGQWBXCVTXLNDY-UHFFFAOYSA-N -1 3 248.282 2.881 20 10 BFCDHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000126227298 973073518 /nfs/dbraw/zinc/07/35/18/973073518.db2.gz JINBFOLGDMIDTF-NXEZZACHSA-N -1 3 249.310 2.501 20 10 BFCDHM CN(Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000234281622 973483153 /nfs/dbraw/zinc/48/31/53/973483153.db2.gz BTQLDKZRXIHXOG-UHFFFAOYSA-N -1 3 237.196 2.525 20 10 BFCDHM Cc1csc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148212202 973812545 /nfs/dbraw/zinc/81/25/45/973812545.db2.gz QPPOXHPRUASCMF-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM [O-]c1c(CN2CC(F)(F)C2)ccc2ccccc21 ZINC001231878552 977785587 /nfs/dbraw/zinc/78/55/87/977785587.db2.gz OLOUMYHKTRWNDB-UHFFFAOYSA-N -1 3 249.260 2.996 20 10 BFCDHM Cc1coc(CNCc2c([O-])cccc2F)c1 ZINC001462587156 986442117 /nfs/dbraw/zinc/44/21/17/986442117.db2.gz FUSFAQGKHQQCJE-UHFFFAOYSA-N -1 3 235.258 2.723 20 10 BFCDHM [O-]c1cccc(F)c1CN1CCC(F)(F)CC1 ZINC001137831850 990855226 /nfs/dbraw/zinc/85/52/26/990855226.db2.gz PTENUPOYZQVBOY-UHFFFAOYSA-N -1 3 245.244 2.762 20 10 BFCDHM CC(C)=CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001590924877 990923142 /nfs/dbraw/zinc/92/31/42/990923142.db2.gz OSXSUNHAQJEAGC-JTQLQIEISA-N -1 3 249.310 2.707 20 10 BFCDHM C[C@@H]1[C@@H](C)CN1Cc1cc(F)c(F)cc1[O-] ZINC001308789465 991138131 /nfs/dbraw/zinc/13/81/31/991138131.db2.gz BLKWPQXZKRPZGB-JGVFFNPUSA-N -1 3 227.254 2.511 20 10 BFCDHM [O-]c1cc(Cl)ccc1CN1CCC[C@H](F)C1 ZINC001140465198 991643088 /nfs/dbraw/zinc/64/30/88/991643088.db2.gz HWJPOVCUOSDKIU-NSHDSACASA-N -1 3 243.709 2.980 20 10 BFCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])C(F)(F)F ZINC000287437298 398143200 /nfs/dbraw/zinc/14/32/00/398143200.db2.gz UEWSEVDREXEAOL-JGVFFNPUSA-N -1 3 233.233 2.994 20 10 BFCDHM CCCN(C)Cc1c([O-])cccc1Cl ZINC000132579702 169082038 /nfs/dbraw/zinc/08/20/38/169082038.db2.gz QJMHBDHMHWEFRO-UHFFFAOYSA-N -1 3 213.708 2.887 20 10 BFCDHM C[C@@H](N[C@@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296240944 383986079 /nfs/dbraw/zinc/98/60/79/383986079.db2.gz AVEQREJFZNPVPB-VXNVDRBHSA-N -1 3 245.244 2.920 20 10 BFCDHM Cc1cnc(CN(C)Cc2ccccc2[O-])s1 ZINC000180583131 385531345 /nfs/dbraw/zinc/53/13/45/385531345.db2.gz QBRWUJRLKZVVOD-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cn[nH]c1 ZINC000230669537 385746286 /nfs/dbraw/zinc/74/62/86/385746286.db2.gz TTZBIABPUWXTRO-IUCAKERBSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000230669542 385747380 /nfs/dbraw/zinc/74/73/80/385747380.db2.gz TTZBIABPUWXTRO-DTWKUNHWSA-N -1 3 249.289 2.666 20 10 BFCDHM C[C@@H](CF)NCc1cc(Cl)c(F)cc1[O-] ZINC000293830651 386886389 /nfs/dbraw/zinc/88/63/89/386886389.db2.gz GLWMXCQFSRGJEZ-LURJTMIESA-N -1 3 235.661 2.632 20 10 BFCDHM O=C(NCCCC1CCC1)c1cc([O-])cs1 ZINC000855800929 588848786 /nfs/dbraw/zinc/84/87/86/588848786.db2.gz FFGXOQVMWICABB-UHFFFAOYSA-N -1 3 239.340 2.764 20 10 BFCDHM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([O-])cs1 ZINC000856458393 588872816 /nfs/dbraw/zinc/87/28/16/588872816.db2.gz JKFZHGYVPVJIFU-QMMMGPOBSA-N -1 3 239.340 2.572 20 10 BFCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC000894861664 583535342 /nfs/dbraw/zinc/53/53/42/583535342.db2.gz LPLPJDNQLLDPQG-HTQZYQBOSA-N -1 3 227.254 2.511 20 10 BFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000895326879 583651900 /nfs/dbraw/zinc/65/19/00/583651900.db2.gz INFIPBBLGXHZDR-RKDXNWHRSA-N -1 3 239.265 2.512 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H]1C(F)F ZINC000895435046 583673136 /nfs/dbraw/zinc/67/31/36/583673136.db2.gz GBPXPUDYUSSPEC-SECBINFHSA-N -1 3 247.672 2.885 20 10 BFCDHM CCC(F)(F)CNCc1c([O-])cccc1OC ZINC000858259089 588941104 /nfs/dbraw/zinc/94/11/04/588941104.db2.gz ONZXHFNNBWUSQP-UHFFFAOYSA-N -1 3 245.269 2.536 20 10 BFCDHM CN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000732257220 584935683 /nfs/dbraw/zinc/93/56/83/584935683.db2.gz GSGCUCCUXMVWTL-UHFFFAOYSA-N -1 3 247.319 2.726 20 10 BFCDHM CCCCCOC(=O)c1cc([O-])cs1 ZINC000732354295 584936077 /nfs/dbraw/zinc/93/60/77/584936077.db2.gz RMORWJJXWVCRHC-UHFFFAOYSA-N -1 3 214.286 2.801 20 10 BFCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000734549873 584964036 /nfs/dbraw/zinc/96/40/36/584964036.db2.gz YUIKWCIGYYDXFV-QMMMGPOBSA-N -1 3 241.356 2.866 20 10 BFCDHM Cc1cc(O)ccc1NC(=O)c1cc([O-])cs1 ZINC000743482564 585137590 /nfs/dbraw/zinc/13/75/90/585137590.db2.gz YKXDFJVJOOCZFW-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM CCCOC(=O)NCc1cc(Cl)ccc1[O-] ZINC000859207155 589019223 /nfs/dbraw/zinc/01/92/23/589019223.db2.gz UDMYXELZOZWAQP-UHFFFAOYSA-N -1 3 243.690 2.682 20 10 BFCDHM CCC1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC000752824007 585250634 /nfs/dbraw/zinc/25/06/34/585250634.db2.gz GWPRWOGTQNARBP-UHFFFAOYSA-N -1 3 239.340 2.764 20 10 BFCDHM CC(C)N(CC(F)F)C(=O)c1cc([O-])cs1 ZINC000756793729 585323248 /nfs/dbraw/zinc/32/32/48/585323248.db2.gz OOLYKMHEHBZCJX-UHFFFAOYSA-N -1 3 249.282 2.569 20 10 BFCDHM CC[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000757434080 585336836 /nfs/dbraw/zinc/33/68/36/585336836.db2.gz AZAOCDDOWVCVAR-WPRPVWTQSA-N -1 3 239.340 2.762 20 10 BFCDHM CC/C=C\CCOC(=O)c1cc([O-])cs1 ZINC000767539569 585522380 /nfs/dbraw/zinc/52/23/80/585522380.db2.gz XTKLQFVRUUMPSU-ARJAWSKDSA-N -1 3 226.297 2.967 20 10 BFCDHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000839799459 585522842 /nfs/dbraw/zinc/52/28/42/585522842.db2.gz PATXJBCRLSOCCH-PWSUYJOCSA-N -1 3 239.340 2.618 20 10 BFCDHM COc1cccc([O-])c1CN(C)Cc1ccoc1 ZINC000769004126 585547541 /nfs/dbraw/zinc/54/75/41/585547541.db2.gz JUXYWRSDLOGUSU-UHFFFAOYSA-N -1 3 247.294 2.626 20 10 BFCDHM O=C(OC1CCCC1)c1cc([O-])cs1 ZINC000771960071 585605633 /nfs/dbraw/zinc/60/56/33/585605633.db2.gz UKCGWVWVAGNAHV-UHFFFAOYSA-N -1 3 212.270 2.553 20 10 BFCDHM CCOc1ccc(CNCC(C)(F)F)c([O-])c1 ZINC000815146689 586670429 /nfs/dbraw/zinc/67/04/29/586670429.db2.gz HQVJTBHGEZJRCD-UHFFFAOYSA-N -1 3 245.269 2.536 20 10 BFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)[C@H]1C ZINC000816647070 586748951 /nfs/dbraw/zinc/74/89/51/586748951.db2.gz NDMKCHJIBPVLNC-BDAKNGLRSA-N -1 3 225.719 2.886 20 10 BFCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000816648223 586750246 /nfs/dbraw/zinc/75/02/46/586750246.db2.gz GYGXBQWSSWFIKW-RKDXNWHRSA-N -1 3 225.719 2.886 20 10 BFCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000816648220 586750326 /nfs/dbraw/zinc/75/03/26/586750326.db2.gz GYGXBQWSSWFIKW-BDAKNGLRSA-N -1 3 225.719 2.886 20 10 BFCDHM CC[C@H](NCc1ccccc1[O-])C(F)F ZINC000824509729 587272400 /nfs/dbraw/zinc/27/24/00/587272400.db2.gz NIBPRQPPXXSCTD-VIFPVBQESA-N -1 3 215.243 2.526 20 10 BFCDHM CC(C)N(C(=O)c1cc([O-])cs1)C1CCC1 ZINC000828495979 587445794 /nfs/dbraw/zinc/44/57/94/587445794.db2.gz BKFNYXNLKWHANK-UHFFFAOYSA-N -1 3 239.340 2.857 20 10 BFCDHM CC1(C(=O)NCc2c([O-])cccc2F)CC=CC1 ZINC000830181157 587540472 /nfs/dbraw/zinc/54/04/72/587540472.db2.gz XFBFSBBWHCUMIO-UHFFFAOYSA-N -1 3 249.285 2.504 20 10 BFCDHM Cc1cc([O-])c(CN2CC[C@@H](F)C2)c(Cl)c1 ZINC000840950176 587931846 /nfs/dbraw/zinc/93/18/46/587931846.db2.gz FTNWSWNKWQCSAF-SECBINFHSA-N -1 3 243.709 2.898 20 10 BFCDHM Nc1ccc(NC([O-])=NOC2CCCCC2)cc1 ZINC000841295794 587950761 /nfs/dbraw/zinc/95/07/61/587950761.db2.gz GMYLRLHGMIYTIB-UHFFFAOYSA-N -1 3 249.314 2.655 20 10 BFCDHM Nc1ccc(NC(=O)[N-]OC2CCCCC2)cc1 ZINC000841295794 587950764 /nfs/dbraw/zinc/95/07/64/587950764.db2.gz GMYLRLHGMIYTIB-UHFFFAOYSA-N -1 3 249.314 2.655 20 10 BFCDHM C/C=C(/C)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846476163 588266963 /nfs/dbraw/zinc/26/69/63/588266963.db2.gz LKJWNJHICYNUSL-BAQGIRSFSA-N -1 3 239.702 2.628 20 10 BFCDHM Cc1cc(CN(C)Cc2ccccc2[O-])sn1 ZINC000876615660 590222543 /nfs/dbraw/zinc/22/25/43/590222543.db2.gz KFPPCNORZAHKJY-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM Cc1cccc([O-])c1CN[C@H]1CCCC1(F)F ZINC000877533991 590349613 /nfs/dbraw/zinc/34/96/13/590349613.db2.gz YVTSIMFMZMXYEG-LBPRGKRZSA-N -1 3 241.281 2.978 20 10 BFCDHM Cc1ccc(CN[C@H](C)C(F)(F)F)c([O-])c1 ZINC000877534180 590349780 /nfs/dbraw/zinc/34/97/80/590349780.db2.gz AMHHIUNQQMDSEI-MRVPVSSYSA-N -1 3 233.233 2.741 20 10 BFCDHM CC[C@@H](NCc1ccc(C)cc1[O-])C(F)F ZINC000877556188 590357352 /nfs/dbraw/zinc/35/73/52/590357352.db2.gz BGYFLRJKHZKBHD-SNVBAGLBSA-N -1 3 229.270 2.834 20 10 BFCDHM [O-]c1c(CN2CC[C@H]2C2CC2)ccc(F)c1F ZINC000877562517 590360276 /nfs/dbraw/zinc/36/02/76/590360276.db2.gz VJSPBPISRRICIZ-NSHDSACASA-N -1 3 239.265 2.655 20 10 BFCDHM Cc1ccoc1CN1Cc2cccc([O-])c2C1 ZINC000877702764 590396150 /nfs/dbraw/zinc/39/61/50/590396150.db2.gz GZHMRQSHJGROFO-UHFFFAOYSA-N -1 3 229.279 2.809 20 10 BFCDHM CC(C)c1c[nH]c(CNCc2ccccc2[O-])n1 ZINC000882955585 591484175 /nfs/dbraw/zinc/48/41/75/591484175.db2.gz NXYPARXQKLKWGB-UHFFFAOYSA-N -1 3 245.326 2.529 20 10 BFCDHM Cc1cc(NCc2c([O-])cccc2Cl)no1 ZINC000134425209 591926404 /nfs/dbraw/zinc/92/64/04/591926404.db2.gz DMBAHMXOVAISOZ-UHFFFAOYSA-N -1 3 238.674 2.954 20 10 BFCDHM Cc1c(N[C@@H](C)c2c([O-])cccc2F)cnn1C ZINC000886580545 592269072 /nfs/dbraw/zinc/26/90/72/592269072.db2.gz MPDHTIKHZMDDBM-QMMMGPOBSA-N -1 3 249.289 2.746 20 10 BFCDHM [O-]c1ccc(F)cc1CN[C@H]1CCCC1(F)F ZINC000398145481 711403203 /nfs/dbraw/zinc/40/32/03/711403203.db2.gz XJXYMCPBCBRILD-NSHDSACASA-N -1 3 245.244 2.809 20 10 BFCDHM C[C@H](NCC(C)(F)F)c1cc(F)ccc1[O-] ZINC000393508323 711554548 /nfs/dbraw/zinc/55/45/48/711554548.db2.gz INTIDWCVKXJPTM-ZETCQYMHSA-N -1 3 233.233 2.837 20 10 BFCDHM C/C(=C/C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928712554 711786175 /nfs/dbraw/zinc/78/61/75/711786175.db2.gz SQDFISLZRJZKTI-CLFYSBASSA-N -1 3 249.285 2.504 20 10 BFCDHM [O-]c1c(F)cccc1CNc1ccc(F)nc1 ZINC000226664765 711831599 /nfs/dbraw/zinc/83/15/99/711831599.db2.gz MFKBLIRAVKDOOR-UHFFFAOYSA-N -1 3 236.221 2.678 20 10 BFCDHM CC1(C)CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233331653 978562494 /nfs/dbraw/zinc/56/24/94/978562494.db2.gz FMNOQLNFTZENKI-UHFFFAOYSA-N -1 3 227.254 2.512 20 10 BFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCCO1 ZINC001233451947 978605875 /nfs/dbraw/zinc/60/58/75/978605875.db2.gz FTSAABDNHPMWGU-UHFFFAOYSA-N -1 3 247.216 2.548 20 10 BFCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001142531302 961478853 /nfs/dbraw/zinc/47/88/53/961478853.db2.gz SRSPYQXRNRBJAD-QPUJVOFHSA-N -1 3 239.265 2.655 20 10 BFCDHM Nc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212011176 964160018 /nfs/dbraw/zinc/16/00/18/964160018.db2.gz WPKAVTSUCMMWBF-UHFFFAOYSA-N -1 3 236.221 2.996 20 10 BFCDHM CN(Cc1cccnc1)Cc1c([O-])cccc1F ZINC001137831863 967822959 /nfs/dbraw/zinc/82/29/59/967822959.db2.gz QJXCQEKDMVTMRR-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000126227091 973072925 /nfs/dbraw/zinc/07/29/25/973072925.db2.gz JINBFOLGDMIDTF-UWVGGRQHSA-N -1 3 249.310 2.501 20 10 BFCDHM O=C(C[C@H]1C=CCC1)NCc1c([O-])cccc1F ZINC001333856188 976123394 /nfs/dbraw/zinc/12/33/94/976123394.db2.gz GZSBHDXCUHBCDD-JTQLQIEISA-N -1 3 249.285 2.504 20 10 BFCDHM Cc1cc(F)cc(N=c2cc[nH]cc2F)c1[O-] ZINC001175201069 977304060 /nfs/dbraw/zinc/30/40/60/977304060.db2.gz SFPQMXLVERVOSG-UHFFFAOYSA-N -1 3 236.221 2.539 20 10 BFCDHM COc1ccc(CN2CC[C@H]2C)c([O-])c1Cl ZINC001236801165 979739340 /nfs/dbraw/zinc/73/93/40/979739340.db2.gz GLRDHCXHLHHIND-MRVPVSSYSA-N -1 3 241.718 2.648 20 10 BFCDHM C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)ccc1[O-] ZINC001203651767 980470731 /nfs/dbraw/zinc/47/07/31/980470731.db2.gz UJWCQGBTPWOBGZ-KCJUWKMLSA-N -1 3 243.709 2.978 20 10 BFCDHM C[C@@H](NCc1c([O-])cccc1F)c1ccccn1 ZINC001462593186 986448179 /nfs/dbraw/zinc/44/81/79/986448179.db2.gz PWZVGWLGPMOESZ-SNVBAGLBSA-N -1 3 246.285 2.777 20 10 BFCDHM C[C@H](NCc1c([O-])cccc1F)c1ccccn1 ZINC001462593183 986449854 /nfs/dbraw/zinc/44/98/54/986449854.db2.gz PWZVGWLGPMOESZ-JTQLQIEISA-N -1 3 246.285 2.777 20 10 BFCDHM CN(Cc1ccccn1)Cc1c([O-])cccc1F ZINC001137832043 990855964 /nfs/dbraw/zinc/85/59/64/990855964.db2.gz YFQYTDUSXJRKPL-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM C[C@H]([NH2+]CC1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252857 994510021 /nfs/dbraw/zinc/51/00/21/994510021.db2.gz VYFPLJWRZXBERU-VIFPVBQESA-N -1 3 249.310 2.541 20 10 BFCDHM C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354361 994989896 /nfs/dbraw/zinc/98/98/96/994989896.db2.gz OEKZKRIQDBHOLR-PELKAZGASA-N -1 3 249.310 2.540 20 10 BFCDHM CC(C)N(Cc1ccccc1[O-])CC(F)F ZINC000271453899 188089967 /nfs/dbraw/zinc/08/99/67/188089967.db2.gz VGZBLBKTRRCXLU-UHFFFAOYSA-N -1 3 229.270 2.868 20 10 BFCDHM [O-]c1ccc(F)cc1CNc1cccc(CO)c1 ZINC000083376623 183167435 /nfs/dbraw/zinc/16/74/35/183167435.db2.gz SAJFYDNAJSJXLO-UHFFFAOYSA-N -1 3 247.269 2.636 20 10 BFCDHM CCCN(Cc1ccon1)Cc1ccccc1[O-] ZINC000077275800 169178445 /nfs/dbraw/zinc/17/84/45/169178445.db2.gz RPQPLJJKCXCKIR-UHFFFAOYSA-N -1 3 246.310 2.792 20 10 BFCDHM CCCOc1ccc(CNCC(F)F)c([O-])c1 ZINC000298148215 169318345 /nfs/dbraw/zinc/31/83/45/169318345.db2.gz RGKVVGBWVWEPLU-UHFFFAOYSA-N -1 3 245.269 2.536 20 10 BFCDHM C[C@H](N[C@@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296240938 383986854 /nfs/dbraw/zinc/98/68/54/383986854.db2.gz AVEQREJFZNPVPB-IONNQARKSA-N -1 3 245.244 2.920 20 10 BFCDHM CC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126245859 384785421 /nfs/dbraw/zinc/78/54/21/384785421.db2.gz MXSNNBUDVGGKJB-JTQLQIEISA-N -1 3 249.310 2.503 20 10 BFCDHM Cc1nc(CN(C)Cc2ccccc2[O-])oc1C ZINC000109772065 385191383 /nfs/dbraw/zinc/19/13/83/385191383.db2.gz WDDILDRRAZTLQQ-UHFFFAOYSA-N -1 3 246.310 2.629 20 10 BFCDHM C[C@H](NCCF)c1cc(Cl)ccc1[O-] ZINC000280886849 385380216 /nfs/dbraw/zinc/38/02/16/385380216.db2.gz BFKYTPRIUYZQSH-ZETCQYMHSA-N -1 3 217.671 2.666 20 10 BFCDHM C[C@@]1(F)CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000295948716 386110756 /nfs/dbraw/zinc/11/07/56/386110756.db2.gz GYJPTWMAYWIGGY-CYBMUJFWSA-N -1 3 241.281 2.855 20 10 BFCDHM CC(C)N(C)Cc1c([O-])cccc1Cl ZINC000132485965 388360749 /nfs/dbraw/zinc/36/07/49/388360749.db2.gz BATSGDNYSBBQFU-UHFFFAOYSA-N -1 3 213.708 2.886 20 10 BFCDHM CC1=CCCN(Cc2cccc(F)c2[O-])C1 ZINC000281805211 168100084 /nfs/dbraw/zinc/10/00/84/168100084.db2.gz NBQDWKKRPGQEDV-UHFFFAOYSA-N -1 3 221.275 2.683 20 10 BFCDHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000126521212 171052193 /nfs/dbraw/zinc/05/21/93/171052193.db2.gz QLYVWPDVADHTJA-VHSXEESVSA-N -1 3 249.310 2.501 20 10 BFCDHM CC[C@H](C)CCNC(=O)c1cc([O-])cs1 ZINC000855389813 588830709 /nfs/dbraw/zinc/83/07/09/588830709.db2.gz HYDKGDHLDNRYNG-QMMMGPOBSA-N -1 3 227.329 2.620 20 10 BFCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000894862457 583536752 /nfs/dbraw/zinc/53/67/52/583536752.db2.gz YUIKOGASBYUDDJ-HTQZYQBOSA-N -1 3 227.254 2.511 20 10 BFCDHM CN(CCCF)Cc1c([O-])ccc(Cl)c1F ZINC000895895689 583743847 /nfs/dbraw/zinc/74/38/47/583743847.db2.gz CKLPSVVZHKQRBY-UHFFFAOYSA-N -1 3 249.688 2.976 20 10 BFCDHM O=C(c1cc([O-])cs1)N1CCc2ccccc21 ZINC000731867323 584930487 /nfs/dbraw/zinc/93/04/87/584930487.db2.gz FZAUJOKFQPLGJF-UHFFFAOYSA-N -1 3 245.303 2.657 20 10 BFCDHM CCC[C@@H](CC)NC(=O)c1cc([O-])cs1 ZINC000732278551 584935519 /nfs/dbraw/zinc/93/55/19/584935519.db2.gz PRJFVLCQJJHPOJ-MRVPVSSYSA-N -1 3 227.329 2.762 20 10 BFCDHM CN(CC(C)(C)C)C(=O)c1cc([O-])cs1 ZINC000732282642 584935846 /nfs/dbraw/zinc/93/58/46/584935846.db2.gz KSQLDRPSVHZBSC-UHFFFAOYSA-N -1 3 227.329 2.572 20 10 BFCDHM C[C@H](CNC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000734549872 584964223 /nfs/dbraw/zinc/96/42/23/584964223.db2.gz YUIKWCIGYYDXFV-MRVPVSSYSA-N -1 3 241.356 2.866 20 10 BFCDHM C[C@H]1CCCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000743551108 585137923 /nfs/dbraw/zinc/13/79/23/585137923.db2.gz PDXAUACXTKBEHB-IUCAKERBSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)[C@@H]1C ZINC000743551110 585138101 /nfs/dbraw/zinc/13/81/01/585138101.db2.gz PDXAUACXTKBEHB-RKDXNWHRSA-N -1 3 239.340 2.714 20 10 BFCDHM CN(Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000757889986 585346346 /nfs/dbraw/zinc/34/63/46/585346346.db2.gz NHRFZMIHZPSHBK-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM CN(Cc1ccncc1)Cc1cccc(F)c1[O-] ZINC000757887333 585346381 /nfs/dbraw/zinc/34/63/81/585346381.db2.gz HIYURIFVGBMMBG-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000839799454 585522894 /nfs/dbraw/zinc/52/28/94/585522894.db2.gz PATXJBCRLSOCCH-CMPLNLGQSA-N -1 3 239.340 2.618 20 10 BFCDHM Cc1cccnc1COC(=O)c1cc([O-])cs1 ZINC000771959909 585605482 /nfs/dbraw/zinc/60/54/82/585605482.db2.gz RXHOGPUVOMYEBZ-UHFFFAOYSA-N -1 3 249.291 2.514 20 10 BFCDHM Cc1ccc(COC(=O)c2cc([O-])cs2)nc1 ZINC000772272767 585611680 /nfs/dbraw/zinc/61/16/80/585611680.db2.gz SDWLNHQQIRUSQN-UHFFFAOYSA-N -1 3 249.291 2.514 20 10 BFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCCC1 ZINC000775638557 585682009 /nfs/dbraw/zinc/68/20/09/585682009.db2.gz LBCRHWLVWFASJW-UHFFFAOYSA-N -1 3 229.682 2.781 20 10 BFCDHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cs1 ZINC000776262457 585694207 /nfs/dbraw/zinc/69/42/07/585694207.db2.gz CFYOZEBPQIXZLS-WPRPVWTQSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H]1[C@@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000816648221 586750143 /nfs/dbraw/zinc/75/01/43/586750143.db2.gz GYGXBQWSSWFIKW-DTWKUNHWSA-N -1 3 225.719 2.886 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CC2(CC2)C1 ZINC000824533747 587274262 /nfs/dbraw/zinc/27/42/62/587274262.db2.gz MJXWTILQUMHRIJ-UHFFFAOYSA-N -1 3 223.703 2.641 20 10 BFCDHM CC(F)(F)CCCNC(=O)c1cc([O-])cs1 ZINC000833070174 587699868 /nfs/dbraw/zinc/69/98/68/587699868.db2.gz RNYFKPVGBQXWRN-UHFFFAOYSA-N -1 3 249.282 2.619 20 10 BFCDHM CCC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000835074728 587780181 /nfs/dbraw/zinc/78/01/81/587780181.db2.gz LXVJXNNLZALNCA-UHFFFAOYSA-N -1 3 225.719 2.887 20 10 BFCDHM CC(C)(C)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846478997 588267315 /nfs/dbraw/zinc/26/73/15/588267315.db2.gz HLQVKXUCJUPJSS-UHFFFAOYSA-N -1 3 241.718 2.708 20 10 BFCDHM CC(C)(NC(=O)c1cc([O-])cs1)C1CCC1 ZINC000846655190 588281213 /nfs/dbraw/zinc/28/12/13/588281213.db2.gz OLCYAONCPHGPHX-UHFFFAOYSA-N -1 3 239.340 2.762 20 10 BFCDHM Cc1cc(CN(C)Cc2c(C)cccc2[O-])no1 ZINC000876596644 590219995 /nfs/dbraw/zinc/21/99/95/590219995.db2.gz JAAGQAGEXNGSGL-UHFFFAOYSA-N -1 3 246.310 2.629 20 10 BFCDHM Cc1cccc([O-])c1CN1CCC(F)(F)C1 ZINC000877141688 590291735 /nfs/dbraw/zinc/29/17/35/590291735.db2.gz ZNRLQRFGHBVMBS-UHFFFAOYSA-N -1 3 227.254 2.542 20 10 BFCDHM C[C@H]1C[C@H](C)N1Cc1ccc(F)c(F)c1[O-] ZINC000877486370 590338753 /nfs/dbraw/zinc/33/87/53/590338753.db2.gz IMWNIRKESUWPCY-YUMQZZPRSA-N -1 3 227.254 2.653 20 10 BFCDHM Cc1ccc(CN[C@@H]2CCCC2(F)F)c([O-])c1 ZINC000877533836 590349680 /nfs/dbraw/zinc/34/96/80/590349680.db2.gz XJFUJBXQLVGHQI-GFCCVEGCSA-N -1 3 241.281 2.978 20 10 BFCDHM Cc1ccc(CN[C@H]2CCCC2(F)F)c([O-])c1 ZINC000877533837 590350290 /nfs/dbraw/zinc/35/02/90/590350290.db2.gz XJFUJBXQLVGHQI-LBPRGKRZSA-N -1 3 241.281 2.978 20 10 BFCDHM CC1(C)C[C@@]1(C)CNC(=O)c1cc([O-])cs1 ZINC000881540526 591233718 /nfs/dbraw/zinc/23/37/18/591233718.db2.gz JUYOKPCHILDFJI-LBPRGKRZSA-N -1 3 239.340 2.620 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CCC[C@H](F)C1 ZINC000701673865 712026733 /nfs/dbraw/zinc/02/67/33/712026733.db2.gz NSJDKQWHJFDAQG-VIFPVBQESA-N -1 3 243.709 2.980 20 10 BFCDHM CCN(Cc1c([O-])ccc(F)c1F)C1CC1 ZINC001233331758 978560402 /nfs/dbraw/zinc/56/04/02/978560402.db2.gz JTWVSYJXWOMUFE-UHFFFAOYSA-N -1 3 227.254 2.655 20 10 BFCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](F)C1 ZINC000689844810 959307227 /nfs/dbraw/zinc/30/72/27/959307227.db2.gz BALYGGHJFHBHNH-QMMMGPOBSA-N -1 3 229.682 2.589 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](F)C1 ZINC000689888460 963880831 /nfs/dbraw/zinc/88/08/31/963880831.db2.gz WXTJVLNJKJFMBD-LLVKDONJSA-N -1 3 243.709 2.980 20 10 BFCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC001203651785 966723975 /nfs/dbraw/zinc/72/39/75/966723975.db2.gz VEWMLGAUPRBWNA-KCJUWKMLSA-N -1 3 243.709 2.835 20 10 BFCDHM [O-]c1c(Cl)cccc1Nc1ccncc1F ZINC001175198788 977301351 /nfs/dbraw/zinc/30/13/51/977301351.db2.gz NFZIYAGMFKJVGV-UHFFFAOYSA-N -1 3 238.649 2.745 20 10 BFCDHM CN(Cc1c([O-])cccc1F)C1CC(F)(F)C1 ZINC001137831500 990854042 /nfs/dbraw/zinc/85/40/42/990854042.db2.gz BVJNGKWWPNHPCB-UHFFFAOYSA-N -1 3 245.244 2.761 20 10 BFCDHM [O-]c1c(F)cccc1CN1CCCC[C@H](F)C1 ZINC001138122569 990883778 /nfs/dbraw/zinc/88/37/78/990883778.db2.gz NKXKWPHVEQRFDI-NSHDSACASA-N -1 3 241.281 2.855 20 10 BFCDHM [O-]c1cc(Cl)ccc1CN1CCC[C@@H](F)C1 ZINC001140466506 991644742 /nfs/dbraw/zinc/64/47/42/991644742.db2.gz HWJPOVCUOSDKIU-LLVKDONJSA-N -1 3 243.709 2.980 20 10 BFCDHM O=C(C[C@@H]1C=CCC1)NCc1c([O-])cccc1F ZINC001333856374 994535532 /nfs/dbraw/zinc/53/55/32/994535532.db2.gz GZSBHDXCUHBCDD-SNVBAGLBSA-N -1 3 249.285 2.504 20 10 BFCDHM C[C@@H](N[C@@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287437302 398143568 /nfs/dbraw/zinc/14/35/68/398143568.db2.gz UEWSEVDREXEAOL-SFYZADRCSA-N -1 3 233.233 2.994 20 10 BFCDHM [O-]c1ccc(F)cc1CN(CC(F)F)C1CC1 ZINC000180127145 183275052 /nfs/dbraw/zinc/27/50/52/183275052.db2.gz TYBRNZOCPDUORS-UHFFFAOYSA-N -1 3 245.244 2.761 20 10 BFCDHM C[C@H](NCc1nccs1)c1ccccc1[O-] ZINC000041011668 384173484 /nfs/dbraw/zinc/17/34/84/384173484.db2.gz QMEGTGKQUBGDNN-VIFPVBQESA-N -1 3 234.324 2.700 20 10 BFCDHM CCn1cc(N[C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000094617103 172186699 /nfs/dbraw/zinc/18/66/99/172186699.db2.gz SMVTVJIKGHORQT-VIFPVBQESA-N -1 3 249.289 2.921 20 10 BFCDHM CCC(C)(C)OC1CN(Cc2ccccc2[O-])C1 ZINC000529643368 324370718 /nfs/dbraw/zinc/37/07/18/324370718.db2.gz ZIZIJPNHLROQBH-UHFFFAOYSA-N -1 3 249.354 2.782 20 10 BFCDHM C[C@H]1CCC(C)(C)N1C(=O)c1cccc(O)c1[O-] ZINC000854897803 588815934 /nfs/dbraw/zinc/81/59/34/588815934.db2.gz IFAKKGQROKXEEW-VIFPVBQESA-N -1 3 249.310 2.501 20 10 BFCDHM C[C@H]1CCC(C)(C)N1C(=O)c1cc([O-])cs1 ZINC000854897138 588815982 /nfs/dbraw/zinc/81/59/82/588815982.db2.gz XQRGPCYBHQBFLP-QMMMGPOBSA-N -1 3 239.340 2.857 20 10 BFCDHM O=C(NC1(C2CCC2)CC1)c1cc([O-])cs1 ZINC000855022875 588820802 /nfs/dbraw/zinc/82/08/02/588820802.db2.gz LKQMWVVRYTWBAB-UHFFFAOYSA-N -1 3 237.324 2.516 20 10 BFCDHM CC1(C)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894032519 583276990 /nfs/dbraw/zinc/27/69/90/583276990.db2.gz LCXLTCBLHLQFOD-UHFFFAOYSA-N -1 3 227.254 2.655 20 10 BFCDHM Cc1ccc(CN2CC[C@@H]2C(F)F)c([O-])c1 ZINC000895431406 583669983 /nfs/dbraw/zinc/66/99/83/583669983.db2.gz MFHYCFAWQQEDSQ-SNVBAGLBSA-N -1 3 227.254 2.540 20 10 BFCDHM O=C(Nc1ccc(F)cc1)c1cc([O-])cs1 ZINC000731865645 584929986 /nfs/dbraw/zinc/92/99/86/584929986.db2.gz NTDIGNUOYHKBDA-UHFFFAOYSA-N -1 3 237.255 2.845 20 10 BFCDHM CCC[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000731869361 584930857 /nfs/dbraw/zinc/93/08/57/584930857.db2.gz FUQYBOZBUXEQAJ-QMMMGPOBSA-N -1 3 227.329 2.714 20 10 BFCDHM C[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732268619 584934980 /nfs/dbraw/zinc/93/49/80/584934980.db2.gz KWWYDQBJCZINLO-DTWKUNHWSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732268623 584935020 /nfs/dbraw/zinc/93/50/20/584935020.db2.gz KWWYDQBJCZINLO-RKDXNWHRSA-N -1 3 239.340 2.762 20 10 BFCDHM CC[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732269277 584935340 /nfs/dbraw/zinc/93/53/40/584935340.db2.gz HFSIRGCJULIQPI-VIFPVBQESA-N -1 3 239.340 2.716 20 10 BFCDHM Cc1cc(C)nc(NC(=O)c2cc([O-])cs2)c1 ZINC000747614944 585181248 /nfs/dbraw/zinc/18/12/48/585181248.db2.gz VBMMTIIVZMJTOR-UHFFFAOYSA-N -1 3 248.307 2.718 20 10 BFCDHM C[C@H](N(C)C(=O)c1cc([O-])cs1)C1(C)CC1 ZINC000752824118 585250574 /nfs/dbraw/zinc/25/05/74/585250574.db2.gz HTSNWMCMLWUAMW-QMMMGPOBSA-N -1 3 239.340 2.714 20 10 BFCDHM CC(C)C1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000753336061 585256908 /nfs/dbraw/zinc/25/69/08/585256908.db2.gz BQOJUOHCDSEJBN-UHFFFAOYSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000767153381 585514903 /nfs/dbraw/zinc/51/49/03/585514903.db2.gz RDXRARHGSGYLQS-RKDXNWHRSA-N -1 3 239.340 2.572 20 10 BFCDHM CN(Cc1ccoc1)Cc1cc(F)ccc1[O-] ZINC000778999137 585744065 /nfs/dbraw/zinc/74/40/65/585744065.db2.gz ZCDZAMJLSJURJP-UHFFFAOYSA-N -1 3 235.258 2.756 20 10 BFCDHM C[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000799188873 586165389 /nfs/dbraw/zinc/16/53/89/586165389.db2.gz WTROYKDEMKSSTA-IUCAKERBSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])cs1 ZINC000839877648 586168459 /nfs/dbraw/zinc/16/84/59/586168459.db2.gz RJYAUSZLYQWEQH-MRVPVSSYSA-N -1 3 239.340 2.714 20 10 BFCDHM COc1cc(Cl)cc(CN2CC(C)C2)c1[O-] ZINC000802651508 586307822 /nfs/dbraw/zinc/30/78/22/586307822.db2.gz QDDQONCXOLGCON-UHFFFAOYSA-N -1 3 241.718 2.506 20 10 BFCDHM CC(C)N(CC1CC1)C(=O)c1cc([O-])cs1 ZINC000821811023 587139491 /nfs/dbraw/zinc/13/94/91/587139491.db2.gz CEGJTNGPFLFZAO-UHFFFAOYSA-N -1 3 239.340 2.714 20 10 BFCDHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000826064591 587350027 /nfs/dbraw/zinc/35/00/27/587350027.db2.gz LZEWYPKKDAAJJC-DTORHVGOSA-N -1 3 239.340 2.857 20 10 BFCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)C=CCC1 ZINC000830180380 587540227 /nfs/dbraw/zinc/54/02/27/587540227.db2.gz LQORCSLTDWIQEZ-AWEZNQCLSA-N -1 3 249.285 2.504 20 10 BFCDHM O=C(NCC1=CCCCC1)c1cc([O-])cs1 ZINC000833343950 587707459 /nfs/dbraw/zinc/70/74/59/587707459.db2.gz XLMJGEVWMOKPLJ-UHFFFAOYSA-N -1 3 237.324 2.684 20 10 BFCDHM [O-]c1cccc2c1[C@H](NC1(C(F)F)CC1)CC2 ZINC000834794483 587767088 /nfs/dbraw/zinc/76/70/88/587767088.db2.gz ZUUHMLBLDPXIFP-SECBINFHSA-N -1 3 239.265 2.767 20 10 BFCDHM Cc1cc([O-])c(CN[C@@H](C)CF)c(Cl)c1 ZINC000840951240 587931163 /nfs/dbraw/zinc/93/11/63/587931163.db2.gz YVCRAKWYWGRHKG-QMMMGPOBSA-N -1 3 231.698 2.802 20 10 BFCDHM CC(C)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000849727212 588490153 /nfs/dbraw/zinc/49/01/53/588490153.db2.gz BZSYDHOLWBIWIO-ZETCQYMHSA-N -1 3 214.286 2.655 20 10 BFCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000862443176 589213172 /nfs/dbraw/zinc/21/31/72/589213172.db2.gz LICCJLNECDMQCB-OCAPTIKFSA-N -1 3 241.693 2.636 20 10 BFCDHM O=C(N[C@@H]1CCCC12CC2)c1cc([O-])cs1 ZINC000869749704 589626640 /nfs/dbraw/zinc/62/66/40/589626640.db2.gz CDILQNQPGGTGPV-SNVBAGLBSA-N -1 3 237.324 2.516 20 10 BFCDHM C[C@H](CC1CCC1)NC(=O)c1cc([O-])cs1 ZINC000871090385 589723348 /nfs/dbraw/zinc/72/33/48/589723348.db2.gz AKKZPBQNJLNQFD-MRVPVSSYSA-N -1 3 239.340 2.762 20 10 BFCDHM [O-]c1cccc(Cl)c1CNCc1ccoc1 ZINC000123537053 589748452 /nfs/dbraw/zinc/74/84/52/589748452.db2.gz UXDUJIYIUMDXLZ-UHFFFAOYSA-N -1 3 237.686 2.928 20 10 BFCDHM Cc1ccc(CN(C)Cc2cscn2)c([O-])c1 ZINC000876642324 590225555 /nfs/dbraw/zinc/22/55/55/590225555.db2.gz XJMAPZUAAOLLCS-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM Cc1ccc(CN2CCC=C(F)C2)c([O-])c1 ZINC000877174150 590296845 /nfs/dbraw/zinc/29/68/45/590296845.db2.gz QIBXDDVCVIRVMN-UHFFFAOYSA-N -1 3 221.275 2.760 20 10 BFCDHM CCc1nc(CNCc2c(C)cccc2[O-])co1 ZINC000877570393 590361448 /nfs/dbraw/zinc/36/14/48/590361448.db2.gz HMUMZTPNDMELMQ-UHFFFAOYSA-N -1 3 246.310 2.541 20 10 BFCDHM Cc1cccc([O-])c1CN1CCCC(F)(F)C1 ZINC000877611430 590372259 /nfs/dbraw/zinc/37/22/59/590372259.db2.gz RFIJRNNTVSSRLL-UHFFFAOYSA-N -1 3 241.281 2.932 20 10 BFCDHM [O-]c1c(CN2CC[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000877635549 590381115 /nfs/dbraw/zinc/38/11/15/590381115.db2.gz WEJWIPYRRIOGLS-PSASIEDQSA-N -1 3 239.265 2.512 20 10 BFCDHM C[C@@H](NCc1ccn(C)c1)c1c([O-])cccc1F ZINC000886537398 592250364 /nfs/dbraw/zinc/25/03/64/592250364.db2.gz ZQJBMNQHDQSPSH-SNVBAGLBSA-N -1 3 248.301 2.721 20 10 BFCDHM CC(C)(CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000887371879 592495781 /nfs/dbraw/zinc/49/57/81/592495781.db2.gz JRSMKRRLAXGGNQ-UHFFFAOYSA-N -1 3 239.340 2.620 20 10 BFCDHM C[C@@H](NCc1cc(Cl)ccc1[O-])C(F)F ZINC000389942060 711100131 /nfs/dbraw/zinc/10/01/31/711100131.db2.gz NNEFIJLZXBBFIK-ZCFIWIBFSA-N -1 3 235.661 2.789 20 10 BFCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508946 961463802 /nfs/dbraw/zinc/46/38/02/961463802.db2.gz QMWWGALIORGMJH-UHFFFAOYSA-N -1 3 227.254 2.512 20 10 BFCDHM [O-]c1cc(F)cc(F)c1CN1C2CCC1CC2 ZINC001140583626 959016072 /nfs/dbraw/zinc/01/60/72/959016072.db2.gz OLIXOJGMSRMFBS-UHFFFAOYSA-N -1 3 239.265 2.797 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](F)C1 ZINC000689888464 963880786 /nfs/dbraw/zinc/88/07/86/963880786.db2.gz WXTJVLNJKJFMBD-NSHDSACASA-N -1 3 243.709 2.980 20 10 BFCDHM CC1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415948 965498006 /nfs/dbraw/zinc/49/80/06/965498006.db2.gz POCVBEOFOURMMQ-UHFFFAOYSA-N -1 3 245.244 2.863 20 10 BFCDHM Nc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267641 977361332 /nfs/dbraw/zinc/36/13/32/977361332.db2.gz DQBXOYNDYNESNG-UHFFFAOYSA-N -1 3 236.221 2.996 20 10 BFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC1 ZINC001237077113 979816244 /nfs/dbraw/zinc/81/62/44/979816244.db2.gz CSZNOXLFANHCNX-UHFFFAOYSA-N -1 3 232.110 2.905 20 10 BFCDHM C[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1[O-] ZINC001203651768 980468680 /nfs/dbraw/zinc/46/86/80/980468680.db2.gz UJWCQGBTPWOBGZ-LDYMZIIASA-N -1 3 243.709 2.978 20 10 BFCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001139688071 991317692 /nfs/dbraw/zinc/31/76/92/991317692.db2.gz YGVOSFGOLFKBAF-PELKAZGASA-N -1 3 239.265 2.655 20 10 BFCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]1CF ZINC000294076999 188213024 /nfs/dbraw/zinc/21/30/24/188213024.db2.gz QVRJBOXGLVXOLN-JTQLQIEISA-N -1 3 243.709 2.980 20 10 BFCDHM [O-]c1ccccc1CNCc1c(F)cccc1F ZINC000083380261 183302947 /nfs/dbraw/zinc/30/29/47/183302947.db2.gz XLEBZSLGYCBHCY-UHFFFAOYSA-N -1 3 249.260 2.960 20 10 BFCDHM CCN(CCOC)Cc1c([O-])cccc1Cl ZINC000132696360 384243362 /nfs/dbraw/zinc/24/33/62/384243362.db2.gz YBPDVVXHRZWJSC-UHFFFAOYSA-N -1 3 243.734 2.514 20 10 BFCDHM O=C(c1cccc(O)c1[O-])N1CCCCCCC1 ZINC000126237216 384780036 /nfs/dbraw/zinc/78/00/36/384780036.db2.gz SGLKXTAKRYGLDQ-UHFFFAOYSA-N -1 3 249.310 2.504 20 10 BFCDHM CN(C/C=C/Cl)Cc1ccccc1[O-] ZINC000268952756 386728092 /nfs/dbraw/zinc/72/80/92/386728092.db2.gz FWPMWGSRHRKQDV-QPJJXVBHSA-N -1 3 211.692 2.577 20 10 BFCDHM CC(C)[C@@H]1CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894136677 583314373 /nfs/dbraw/zinc/31/43/73/583314373.db2.gz AQDJBHGHOMJMCC-LBPRGKRZSA-N -1 3 241.281 2.901 20 10 BFCDHM CC[C@@H](C)N(CC)C(=O)c1cc([O-])cs1 ZINC000855145162 588824095 /nfs/dbraw/zinc/82/40/95/588824095.db2.gz JVMJGBVFJMTJPI-MRVPVSSYSA-N -1 3 227.329 2.714 20 10 BFCDHM CC[C@](C)(NC(=O)c1cc([O-])cs1)C1CC1 ZINC000855878085 588852588 /nfs/dbraw/zinc/85/25/88/588852588.db2.gz WMGUETSLEAKARW-LBPRGKRZSA-N -1 3 239.340 2.762 20 10 BFCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894862459 583537053 /nfs/dbraw/zinc/53/70/53/583537053.db2.gz YUIKOGASBYUDDJ-SFYZADRCSA-N -1 3 227.254 2.511 20 10 BFCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H]1C(F)F ZINC000895435048 583673048 /nfs/dbraw/zinc/67/30/48/583673048.db2.gz GBPXPUDYUSSPEC-VIFPVBQESA-N -1 3 247.672 2.885 20 10 BFCDHM Cc1cccc([O-])c1CN(C)Cc1ccns1 ZINC000895452583 583676634 /nfs/dbraw/zinc/67/66/34/583676634.db2.gz PGZSUNXHBAIZNT-UHFFFAOYSA-N -1 3 248.351 2.789 20 10 BFCDHM Cc1ccc(CN2CCn3cccc3C2)c([O-])c1 ZINC000896762941 583831607 /nfs/dbraw/zinc/83/16/07/583831607.db2.gz HRMAGZJMTUCAET-UHFFFAOYSA-N -1 3 242.322 2.518 20 10 BFCDHM O=C(NC1(C2CC2)CCC1)c1cc([O-])cs1 ZINC000899824037 584240449 /nfs/dbraw/zinc/24/04/49/584240449.db2.gz QFINOZNPYWJBSR-UHFFFAOYSA-N -1 3 237.324 2.516 20 10 BFCDHM CN(CC1CCCC1)C(=O)c1cc([O-])cs1 ZINC000731872276 584930072 /nfs/dbraw/zinc/93/00/72/584930072.db2.gz BPERSGWRTHIBIE-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731864559 584930201 /nfs/dbraw/zinc/93/02/01/584930201.db2.gz WTTIRAXZYOTNTG-UHFFFAOYSA-N -1 3 247.319 2.692 20 10 BFCDHM O=C(Nc1cccc(F)c1)c1cc([O-])cs1 ZINC000731867689 584930497 /nfs/dbraw/zinc/93/04/97/584930497.db2.gz PPFZQGWJEDBVMX-UHFFFAOYSA-N -1 3 237.255 2.845 20 10 BFCDHM CCCN(CCC)C(=O)c1cc([O-])cs1 ZINC000731867082 584930624 /nfs/dbraw/zinc/93/06/24/584930624.db2.gz DRCLSBMBSLWUIB-UHFFFAOYSA-N -1 3 227.329 2.716 20 10 BFCDHM CC(C)CCOC(=O)c1cc([O-])cs1 ZINC000731910680 584931290 /nfs/dbraw/zinc/93/12/90/584931290.db2.gz ALHFJHZPTNLZRQ-UHFFFAOYSA-N -1 3 214.286 2.657 20 10 BFCDHM C[C@H](N(C)C(=O)c1cc([O-])cs1)C(C)(C)C ZINC000732267737 584934898 /nfs/dbraw/zinc/93/48/98/584934898.db2.gz SXCGHNKUYAVIDD-QMMMGPOBSA-N -1 3 241.356 2.960 20 10 BFCDHM CCN(CC(C)C)C(=O)c1cc([O-])cs1 ZINC000732268157 584934945 /nfs/dbraw/zinc/93/49/45/584934945.db2.gz CVTSJKICAVVQFB-UHFFFAOYSA-N -1 3 227.329 2.572 20 10 BFCDHM CCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732275287 584935455 /nfs/dbraw/zinc/93/54/55/584935455.db2.gz VPUYWNZMOIHPIF-UHFFFAOYSA-N -1 3 239.340 2.716 20 10 BFCDHM C[C@@H]1CCCCCN1C(=O)c1cc([O-])cs1 ZINC000734020537 584956361 /nfs/dbraw/zinc/95/63/61/584956361.db2.gz SWKLZDKGQZBOPM-SECBINFHSA-N -1 3 239.340 2.858 20 10 BFCDHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1ccn(C)n1 ZINC000840815494 585068283 /nfs/dbraw/zinc/06/82/83/585068283.db2.gz FNPSEOVAFFBZJZ-QWRGUYRKSA-N -1 3 245.326 2.538 20 10 BFCDHM C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1[O-] ZINC000840815487 585068296 /nfs/dbraw/zinc/06/82/96/585068296.db2.gz FNPSEOVAFFBZJZ-MNOVXSKESA-N -1 3 245.326 2.538 20 10 BFCDHM CN(Cc1cccnc1)Cc1cccc(F)c1[O-] ZINC000757877410 585346528 /nfs/dbraw/zinc/34/65/28/585346528.db2.gz ZNKLNCRWMQSVLM-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM CC(C)CN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000771046945 585588726 /nfs/dbraw/zinc/58/87/26/585588726.db2.gz KMLJLGCRUQUPJU-UHFFFAOYSA-N -1 3 239.340 2.714 20 10 BFCDHM CN(Cc1cncc(F)c1)Cc1ccccc1[O-] ZINC000771307503 585592269 /nfs/dbraw/zinc/59/22/69/585592269.db2.gz IRLMFRHJRNPFHR-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM [O-]c1c(Cl)cccc1CN1CC=CCC1 ZINC000779164604 585746202 /nfs/dbraw/zinc/74/62/02/585746202.db2.gz YLJATRAQHVQFQZ-UHFFFAOYSA-N -1 3 223.703 2.808 20 10 BFCDHM C[C@H]1CC(C)(C)CN1C(=O)c1cc([O-])cs1 ZINC000839877650 586168330 /nfs/dbraw/zinc/16/83/30/586168330.db2.gz RJYAUSZLYQWEQH-QMMMGPOBSA-N -1 3 239.340 2.714 20 10 BFCDHM Cc1ccc(NC(=O)c2cc([O-])cs2)cc1O ZINC000807455612 586444835 /nfs/dbraw/zinc/44/48/35/586444835.db2.gz QQQPGYXOSPBUJV-UHFFFAOYSA-N -1 3 249.291 2.720 20 10 BFCDHM CC(C)=CCOC(=O)c1cc([O-])cs1 ZINC000808516497 586476782 /nfs/dbraw/zinc/47/67/82/586476782.db2.gz KOPPHYXHYLLLKT-UHFFFAOYSA-N -1 3 212.270 2.577 20 10 BFCDHM CCc1nocc1CN(C)Cc1ccccc1[O-] ZINC000816492978 586737205 /nfs/dbraw/zinc/73/72/05/586737205.db2.gz KTNNYYBOUHDEMF-UHFFFAOYSA-N -1 3 246.310 2.575 20 10 BFCDHM [O-]c1ccc(F)cc1CN1CC(CC(F)F)C1 ZINC000822521198 587172739 /nfs/dbraw/zinc/17/27/39/587172739.db2.gz YBGXYUYGYYIAMM-UHFFFAOYSA-N -1 3 245.244 2.618 20 10 BFCDHM Cc1cc([O-])c(CN(C)CCF)cc1Cl ZINC000826011210 587348437 /nfs/dbraw/zinc/34/84/37/587348437.db2.gz BGSCDHISRPTGDJ-UHFFFAOYSA-N -1 3 231.698 2.755 20 10 BFCDHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000829433137 587497188 /nfs/dbraw/zinc/49/71/88/587497188.db2.gz SLTPEZWWNLNBTR-BDAKNGLRSA-N -1 3 239.340 2.714 20 10 BFCDHM CN(C(=O)c1cc([O-])cs1)C1(C)CCCC1 ZINC000834678494 587763887 /nfs/dbraw/zinc/76/38/87/587763887.db2.gz HRHMLPQNOYLYDE-UHFFFAOYSA-N -1 3 239.340 2.858 20 10 BFCDHM CCC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000835074050 587780283 /nfs/dbraw/zinc/78/02/83/587780283.db2.gz GGTDELDWRSWPFB-UHFFFAOYSA-N -1 3 225.719 2.887 20 10 BFCDHM Cc1cc([O-])c(CN2CC(F)C2)c(Cl)c1 ZINC000840939047 587930566 /nfs/dbraw/zinc/93/05/66/587930566.db2.gz JMXSYHLKFXJFQK-UHFFFAOYSA-N -1 3 229.682 2.508 20 10 BFCDHM CN(CCC(C)(C)C)C(=O)c1cc([O-])cs1 ZINC000844148021 588170643 /nfs/dbraw/zinc/17/06/43/588170643.db2.gz KEFCEGQYXKATRX-UHFFFAOYSA-N -1 3 241.356 2.962 20 10 BFCDHM CCCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846651192 588280981 /nfs/dbraw/zinc/28/09/81/588280981.db2.gz OOAAPLAKFVHVPQ-UHFFFAOYSA-N -1 3 227.329 2.762 20 10 BFCDHM O=C(OCC1CC=CC1)c1cc([O-])cs1 ZINC000849728271 588490697 /nfs/dbraw/zinc/49/06/97/588490697.db2.gz PHNINGRCAIKTGL-UHFFFAOYSA-N -1 3 224.281 2.577 20 10 BFCDHM C[C@@H](N[C@@H](C)c1nccn1C)c1ccccc1[O-] ZINC000850572175 588561093 /nfs/dbraw/zinc/56/10/93/588561093.db2.gz HKRDMJYTCCZKSR-MNOVXSKESA-N -1 3 245.326 2.538 20 10 BFCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1nccn1C ZINC000850572178 588561207 /nfs/dbraw/zinc/56/12/07/588561207.db2.gz HKRDMJYTCCZKSR-WDEREUQCSA-N -1 3 245.326 2.538 20 10 BFCDHM Cc1ccc(CN(CC(F)F)C2CC2)c([O-])c1 ZINC000876715611 590232870 /nfs/dbraw/zinc/23/28/70/590232870.db2.gz RLVSFDYVLXLKCU-UHFFFAOYSA-N -1 3 241.281 2.930 20 10 BFCDHM C[C@@H]1C[C@H](C)N1Cc1ccc(F)c(F)c1[O-] ZINC000877486369 590338827 /nfs/dbraw/zinc/33/88/27/590338827.db2.gz IMWNIRKESUWPCY-OCAPTIKFSA-N -1 3 227.254 2.653 20 10 BFCDHM [O-]c1ccc(Cl)cc1CNCc1ccoc1 ZINC000136401291 592116888 /nfs/dbraw/zinc/11/68/88/592116888.db2.gz DIDOLYGDGNVZSC-UHFFFAOYSA-N -1 3 237.686 2.928 20 10 BFCDHM [O-]c1ccc(F)cc1CN1CC(C(F)(F)F)C1 ZINC000894891408 635999477 /nfs/dbraw/zinc/99/94/77/635999477.db2.gz CHLULGQUDQJGJR-UHFFFAOYSA-N -1 3 249.207 2.525 20 10 BFCDHM C[C@@H](N[C@H](C)C(F)F)c1cc(F)ccc1[O-] ZINC000389967803 712692740 /nfs/dbraw/zinc/69/27/40/712692740.db2.gz OZOXKCGZAXSJDU-RNFRBKRXSA-N -1 3 233.233 2.836 20 10 BFCDHM [O-]c1c(CN2CC=CC2)cccc1C(F)(F)F ZINC001233415994 978597395 /nfs/dbraw/zinc/59/73/95/978597395.db2.gz RUSWEBLNHJYQBV-UHFFFAOYSA-N -1 3 243.228 2.783 20 10 BFCDHM [O-]c1ccc2ccccc2c1CN1CC(F)(F)C1 ZINC001231588807 977634314 /nfs/dbraw/zinc/63/43/14/977634314.db2.gz UZDRNFJJKCLXML-UHFFFAOYSA-N -1 3 249.260 2.996 20 10 BFCDHM [O-]c1ccc(F)c(F)c1CN1CC2CC(C2)C1 ZINC001233335593 978568407 /nfs/dbraw/zinc/56/84/07/978568407.db2.gz CKYHPSYRGDZWSQ-UHFFFAOYSA-N -1 3 239.265 2.512 20 10 BFCDHM [O-]c1c(Cl)cc(F)cc1CN1CCCC1 ZINC001237810906 980060806 /nfs/dbraw/zinc/06/08/06/980060806.db2.gz UFYJIELMISGCMD-UHFFFAOYSA-N -1 3 229.682 2.781 20 10 BFCDHM CN(Cc1ccncc1)Cc1c([O-])cccc1F ZINC001137831614 990854556 /nfs/dbraw/zinc/85/45/56/990854556.db2.gz HKLADBNHOJVSGR-UHFFFAOYSA-N -1 3 246.285 2.558 20 10 BFCDHM C[C@@H]1C[C@@H](F)CN1Cc1ccc(Cl)cc1[O-] ZINC001140460993 991644195 /nfs/dbraw/zinc/64/41/95/991644195.db2.gz AOTQCTOOBCPATM-LDYMZIIASA-N -1 3 243.709 2.978 20 10 BFCDHM